NZ234841A - Intermediates for preparing antifungal carbinols - Google Patents
Intermediates for preparing antifungal carbinolsInfo
- Publication number
- NZ234841A NZ234841A NZ23484187A NZ23484187A NZ234841A NZ 234841 A NZ234841 A NZ 234841A NZ 23484187 A NZ23484187 A NZ 23484187A NZ 23484187 A NZ23484187 A NZ 23484187A NZ 234841 A NZ234841 A NZ 234841A
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- thienyl
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Description
New Zealand Paient Spedficaiion for Paient Number £34841
•„ .V a*.J
i"'-V
♦
Priority Dalo(:tf: . k?'.
Compleio Specification Filed: *&-.,
C-fp^.^a/o sti Sf?3, ozia£*
^ithliraSnn noto. '7 NOV 1990
::\53E::::::::
Publication Date: P.O. Journal. No
■%
-gss Cent: 71 /
■ ~^.w222»/.lf=i KX\&^ I
Q
'o /
'I!.-.r.r. (>••:: Vr<=>. /J.QhlL ... !
- c
Patents Form No. 5
234 84 1
Under the provisions of Regulation 23 (1) the CRfcvplf&r.
Specification has been ante-dated to X3..3iX& 19 ??...,
Initials
This is a divisional out of application 220798 of 22 June 1987
NEW ZEALAND PATENTS ACT 1953 COMPLETE SPECIFICATION INTERMEDIATES IN THE PREPARATION OF ANTIFUNGAL CARBINOLS
WE, E.I. DU PONT DE NEMOURS AND COMPANY, a corporation organised and existing under the laws of the State of Delaware, of 10th and Market Streets, Wilmington, Delaware, United States of America, hereby declare the invention, for which we pray that a patent may be granted to us, and the method by which it is to be performed, to be particularly described in and by the following statement:
la
234 84 1
This invention relates to compounds which are intermediates in the preparation of antifungal carbinols, particularly o<-styryl carbinols, and the corresponding fpoxy carbinols. The invention also provides processes for preparing the intermediates.
Systemic fungal infections are of increasing importance because of continued and expanded use of immunosuppressive therapies, antimicrobial therapies and indwelling catheters. Currently there are limited therapies available to treat such fungal infections. Amphotericin B remains the drug of choice because it has the widest spectrum of antifungal activity of any systemic antifungal drug, however its utility is limited by its toxicity. Because of the potential seriousness of its toxic effects, intravenous use of amphotericin B is primarily for patients with progressive, potentially fatal infections in which the patient is hospitalized during the course of therapy. Thus, there is a continuing need to develop safer and more effective drugs which are useful for the treatment of fungal infections.
la (followed by page 2)
i,
234 8
2
Plant pathogenic fungi and other disease incitants also cause extensive losses in crops annually. While there are commercially available materials used to control many plant diseases.- further improvement in this art is needed if full food and fiber production is to be realized.
There are a large number of patent and literature references in the area of azole antifungal drugs and plant disease control agents. Host pertinent to the a-styryl carbinol compounds of this invention are the following references:
B. Sugavanam in U.S. Patent 4.507.140 issued March 26. 1985 discloses fungicidal or plant growth regulating 0-styryl triazoles or imidazoles, amongst others of the formula:
Z
where R1 is CH«CH-X; -CEC-X or -CH2-CH2-X; X is substituted aryl. aralkyl. or
heterocycle;
2
R is alkyl. cycloalkyl. or optionally
substituted aryl;
Z is OR3;
3
R is H. acetyl;
Y is -N- or -CH-.
Australian patent'application 70557/81
discloses antimycotic agents of the formula:
2
234 84 1
♦ *
fv,'?
f r«5*
where amongst others
R is alkyl. optionally substituted cycloalkyl or optionally substituted phenyl radical;
X is N, or a CH group;
Y is -OCH2-. -CH2CH2- or CH-CH;
Z is halogen, alkyl, cycloalkyl. alkoxy.
alkythio. etc.
Also known is a —
: substituted 1-hydroxy-ethyl-triazole derivatives of the formula:
OH
\\—X—i—R
l^\=J <U 20 a | 2
N.
4 jj"
N—
where amongst others 25 R is alkyl, cycloalkyl or phenyl optionally substituted;
X is -0CH2-, -SCH2-. -(CH2)p or -CH=CH-:
Z is halogen, alkyl. alkoxy. alkylthio. 3Q haloalkyl. haloalkoxy, or haloalkylthio;
m and p are 0. 1 and 2.
The compounds are antimycotics for treating dermatophytomycoses and systemic mycoses caused, e.g., by Candida sp.. Aspergillus sp.. Trichophyton sp.
3
- '
234
4
The above three references, which pertain to fi-styryl azoles, are believed to be the most relevant. The fl-styryl azole analog of one of the preferred compounds of the instant invention was prepared and found to be significantly less active.
European Patent Application 114,487 which published August 1, 1984 discloses azolylethanol derivatives of the formula:
OH
1— H—CH^,—i—X—R2
W—N—CH_—C-
» J i1
"N
1 2
Where amongst others R and R which may be the same or different are hydrogen, alkyl, cycloalkyl. 15 alkenyl, heterocyclyl aryl, or aralkyl optionally substituted; N is N or CH; and X is C«0. The compounds have fungicidal activity and plant growth regulating activity.
European Patent 117,578-A, published February 23, 20 1984 discloses heterocyclic-hydroxy-alkyl alkyl ketone(s) and analogues of the formula:
R2—A—C—CH-0
i3 2
where
A is CO amongst others; Q is imidazoyl or 1H- or 4H-1,2,4-
triazol-l-yl;
R1 is H, 1-5C alkyl, or 1-8C acyl;
4
234841
; r>
; W 10
;
R2 and R3 are 1-5C alkyl. 3-6C cycloalkyl,
2-6C alkenyl, benzyl (optionally substituted by 1-3 halogen), pyridyl. furyl. thienyl. or phenyl optionally substituted by 1-3 halogen, 1-3 alkyl, or 1-3C alkoxy.
U.K. patent 2146987 —— —— :
discloses 1-phenyl-l-azolyl-hydroxyethyl cycloalkane derivatives of the formula:
^ >
oh
^L(CHR3)n^> B
where
R^ and R2 - H. halo, N02< lower alkyl, alkenyl,
alkynyl. alkoxy or alkylthio (all optionally substituted by 1 or more halo), or optionally substituted phenyl or phenoxy;
Rj « H or lower alkyl;
R4 and R5 * H or halo;
Y - CH or N;
A » 2-7C alkylene;
n » O or 1.
The compounds are useful as agricultural fungicides and antimycotics.
None of the cited references nor any known references suggest the intermediates, of this invention.
4&
234 84 1
The compounds of this invention are intermediates in the preparation of compounds of the formula:
O S CRE1 2 3 ° i
|\e or r3 l »-(ch ) :——c c—t/t (i)
b i* V-1
or a pharraaceutically or agriculturally suitable salt iQ thereof wherein v*w"* * *■*
E is a bond or an oxygen atom with the proviso that when E is oxygen; R. R1 are not halogen;
A is perfluoroalkyl of 1-8 carbon atoms. 15 N(CH3)2< OH. naphthyl optionally substituted with a total of 1-3 substituents each of which is independently selected from halogen and -ty J. optionally substituted with 1 or 2 methyl groups, phenyl optionally
substituted with a total of 1-3 substituents each of which is independently selected from: halogen, alkyl of 1-4 carbon atoms, haloalkyl of 1-4 carbon atoms, alkoxy of 1-4 carbon atoms, and with no more than one 25 group selected from:
haloalkoxy of 1-4 carbon atoms.
S(0) R5. R,. 2-.3-.or 4-m 6
pyridyl. imidazol-l-yl. 1.2.4-
triazol-l-yl. and -o optionally
substituted with 1 or 2 methyl groups.
or a heterocycle selected from imidazol-l-yl. 1.2.4-triazol-l-yl. 2-or 3-thienyl. and 2-.3-.or 4-pyridyl optionally substituted with one or two substituents each of which is independently selected from:
halogen, alkyl of 1-4 carbon atoms,
CF,, and S(0)m R5:
3 01
234 8 4 1
7
B is alkyl of 1-8 carbon atoms, naphthyl. biphenyl.
ch2
6
A
perfluoroalkyl of 1-8 carbon atoms, phenyl optionally substituted with 1-3 substituents each of which is independently selected from: halogen, alkyl of 1-4 carbon atoms, haloalkyl of 1-4 carbon atoms, alkoxy of 1-4 carbon atoms, and with no more than one group
O 10
selected from haloalkoxy of 1-4 carbon atoms, or S(O) R5.
m benzyl optionally substituted on the phenyl ring with halogen or alkyl of 1-4 carbon atoms, or optionally a-substituted with 1 or 2 methyl groups, or a heterocycle selected from 2-or 3-thienyl,
and 2-,3-.or 4-pyridyl optionally substituted with one or two substituents each of which is independently selected from:
halogen, alkyl of 1-4 carbon atoms,
CF_, or S(O) R5;
3 m
O O
Q is H. halogen. S(0) R11. SCNHR12. CHO. C-CH,.
TO 3
13 12
COjR . SCN. SSR . or SH or its corresponding disulfide, provided however that when Q is
_ _ 14
other than H. then n is O, R. R . and R
3
are independently H or CH3> R is H. and A and B are each phenyl optionally substituted with from 1-3 substituents each of which is independently halogen. CH3» 35 CF3. OCH3. or S(0)mR5;
■ — —-
234841
c n is 0-4 with the proviso that when A is -•TV
\ t
N(CHj)2. or OH. then n is other than O; iu each occurrence is 0. 1 or 2;
X is C. NR10. or O;
R and R1 independently are H. alkyl of 1-4 carbon atoms, halogen, or phenyl, or taken together form cycloalkyl of 3-7 carbon atoms;
2
R is H, allyl, propargyl, alkyl of 1-4 carbon
3 t OIQS f o o o
« 7 ii A Q ii *7
-CR . -C-NR°R . -COR . or haloalkyl of 1-4 carbon atoms;
3 4 .
R and R independently are H. F. or alkyl of
1-4 carbon atoms;
R5 is alkyl of 1-4 carbon atoms;
6
R is phenyl optionally substituted with a total of 1-3 substituents each of which is independently selected from halogen and CF3;
7
R is alkyl of 1-4 carbon atoms, phenyl, or benzyl;
8 9
R and R independently are H. alkyl of 1-4 carbon atoms, phenyl or benzyl;
RL0 is H. alkyl of 1-4 carbon atoms, or acetyl:
" T-.vC-.-M"^ •/1
234 84 1
R
li is alkyl of 1-4 carbon atoms, haloalkyl of 1-4 carbon atoms. CH2CN. CH2SCN, CH(CH3)CN. CH2C02CH3. or CH2COzCH2CH3;
.12
is alkyl of 1-4 carbon atoms, allyl. phenyl optionally substituted with 1-2 substituents each of which is independently halogen. CH3> or OCH3. or benzyl optionally substituted with 1-2 substituents each of which is independently halogen. CH3» or OCH3; and
.13
is H. or alkyl of 1-4 carbon atoms.
7--W S-
234841
o o
This invention provides compounds of the formulae (II) and (Ila) shown below:
1 4
(ii) R and R are not F or both alkyl;
CRR^Q CRR OH
) 4_C—JCR3R4 A (CH_ ) J: C CR3R4
2 n , 2 n , ,
8 B X (II)
13 4
in which, in formula (II), A, B, R, R , R , R and n are as defined above with the provisos that
1 2
(i) A and B are not both phenyl when R, R and R are H and n=0; and
(ii) R3
13 4
and in formula (Ila), A, B, R, R , R , R and n are as
3
defined above and X is Br, Cl, or I with the proviso that R
4
and R are not F or both alkyl.
Preferred compounds of the formula (I) are the ec-styryl compounds (E is a bond) where:
1) n m o, or 1; and/or
3 4
2) R and R independently are H. CH3# or F.
More preferred compounds of the formula (i) are compounds where:
1) A, and B independently are phenyl optionally substituted with from 1-3 substituents each of which is halogen, alkyl of 1-4 carbon atoms, haloalkyl of 1-4
carbon atoms, alkoxy of 1-4 carbon atoms, or
S(O) R5; and/or m
2) n « 0; and/or
3) R and R1 independently are H. CH3 or halogen; and/or
2
4) R « H. alkyl of 1-4 carbon atoms, allyl. or propargyl; and/or
) Q is H. I. SH.
234 84 1
11
Most preferred compounds ofvformula (I) are compounds where:
1) A and B independently are phenyl optionally substituted with from 1-3 halogen atoms. CH3» OCH3.
_ CF . or SCH_; and/or:
b 3 3
2) R. R1. R2. R3. R4 and Q are all H.
Specifically preferred because of their biological activity are the following compounds or salts thereof:
(a) 2-(4-Fluorophenyl)-3-phenyl-l-(lH-1.2.4-tri-
azol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(b) 2.3-Bis(4-fluorophenyl)-l-(lH-1.2,4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(c) 2-(2.4-Dichlorophenyl)-3-(4-chlorophenyl)-
1-(1H-1,2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(d) 2-(4-Chlorophenyl)-3-(2-chlorophenyl)-3-buten-2-ol; and the (S) enantiomer thereof.
(e) 2-(2,4-Dichlorophenyl)-3-(3-fluorophenyl) -1-
(lH-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(f) 2-(2-Chlorophenyl)-3-(2-chlorophenyl)-l-(1H-1,2.4—triazol-l-yl)-3-buten-2-ol; and the (S)
enantiomer thereof.
(g) 2-(2.4-Dichlorophenyl)-3-(3-chlorophenyl)-1-(1H-1.2,4—tr iazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(h) 2-(4-Fluorophenyl)-3-(4-tr ifluororaethylphen-
yl)-l-(lH-l.2.4-triazol-l-yl)-3-buten-2-ol; and the (S)
enantiomer thereof.
(i) 2-(2.4-Dichlorophenyl)-3-phenyl-1-(1H-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
11
o
23 4 8 4 1
12
(j) 2-(3.4-Dichlorophenyl)-3-(4-fluorophenyl)-l-(lH-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(k) 2-(4-Chlorophenyl)-3-(3-chlorophenyl)-l-5 (1H-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(1) 2-(4-Fluorophenyl)-3-(2.4-difluorophenyl)-l-(lH-1.2#4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(m) 2-(2,4-Difluorophenyl)-3-(2-chlorophenyl)-
(1H-1,2,4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(n) 2-(2,4-Difluorophenyl)-3-phenyl-l-(1H-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(o) 2-(2.4-Difluorophenyl)-3-(4-fluorophenyl)-l-(lH-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(p) 2-(2-Fluorophenyl)-3-(4-fluorophenyl)-l-(lH-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(q) 2-(2-Fluorophenyl)-3-(4-chlorophenyl)-l-(lH-1.2,4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(r) 2-(2.4-Difluorophenyl)-3-(4-chlorophenyl)-l-(lH-1.2,4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(s) 2-(2-Chlorophenyl)-3-(4-fluorophenyl)-l-(lH-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
(t) 2-(4-Chlorophenyl)-3-phenyl-l-(1H-1.2,4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof.
12
234 84 1
13
All of the compounds of formula (I) —•
»— !—are active in either pharmaceutical or agricultural fungicidal assays. Thus, it should be recognized that there are compounds which are not 5 always active in both assays as is shown with some compounds in the Examples. Of the above listed specifically preferred compounds, compounds (a)-(n) or their salts are preferred for pharmaceutical uses and compounds (n)-(t) or their salts are preferred for agricultural uses.
13
i 23 4 8 4 1s v
o
14
Synthesis
The compounds of Formula (I) can be prepared using the reactions and techniques described 5 in this section. The reactions are usually performed in a solvent appropriate to the reagents and materials employed, and suitable for the transformation being effected. In some cases functional groups on the starting materials may need O 10 to be protected by standard protecting groups reported in the chemical literature which are well known to one skilled in the art.
In some cases, substituents on the starting materials may be incompatible with some of the 15 reaction conditions required in some of the methods described. Such restrictions to the substituents which are compatible with the reaction conditions will be readily apparent to one skiriled in the art and alternative methods described must then be used.
The compounds of formula I — . can contain at least one chiral center and as such can exist as two individual isomers or as a racemic mixture of both. The (S)
isomer, as well as to racemic mixtures containing 25 both isomers,, are intended.
' —_l—: : : The
(S)-isoraer of compounds of Formula (I) is intended to mean compounds of the configuration depicted:
A-(CH,)
CRR1 , Q
j> ?E R ^ a-..-4—r,c-v b w
(la)
When a single chiral center is present the resolution can be performed by reacting the compound
14
-Ar>
234 84 1
n n
S~>
with a chiral strong acid (e.g. substituted camphor-sulfonic acids) in a suitable solvent (e.g. aceto-nitrile) or mixture of solvents (e.g. 3/1 ether-acetone). This reaction i6 carried out at a temperature between 25°C to 100°C. preferably at the reflux temperature of the solvent(s) employed. The reaction produces two diastereomeric adducts that can be separated by fractional crystallization. The adduct can then be cleaved in basic medium (e.g. sat. NaHCOj, sat. Na2C03) to give the resolved product.
The compounds of Formula I. where E is a bond.
2 3 4
R and Q are H and R . R are not F and not both alkyl, can be prepared by contacting an oxirane of
Formula (II) or a halohydrin of Formula (Ha), or a mixture of (II) or (Ila) with triazole or its alkali metal salt (preferably the Na+ or K+ salt) in a suitable solvent (Scheme I).
• Scheme 1
I
CRR n
,IA,
B
(ID
and/or
+ f N-M N^/
solvent
CRR
OH
1 3 4 -C-CR R
■ i
B X
(Ila)
A<CH2>n
CRR1 OH R3 R4 Hr,
B
(I)
X * I. Br, Cl: M = H. alkali metal
i O
234 84 1
16
When triazole is used, an acid acceptor, such as potassium carbonate, sodium methoxide or sodium hydride, is added to the reaction mixture. Suitable inert solvents include polar, aprotic solvents 6uch as 5 dimethylformaraide (DMF). dimethylsulfoxide (DMSO) and ethereal solvents such as tetrahydrofuran (THF). Non-polar solvents, such as toluene, may be used if a phase transfer catalyst, such as tetrabutylararaonium bromide, is added. The reaction is carried out at a 10 temperature in the range of 10° to 150°C. preferably from 50° to 120°C. for a period of 0.25 to 24 hours. It is recognized that varying amounts of the 4H-1.2.4-triazol-4-yl isomers of Formula (I) may be formed in the above reaction. The isomers can be 15 separated, if desired, using standard separation techniques, e.g.. chromatography.
The oxiranes of Formula (II) can be prepared using one or both of the following methods; (Scheme 2). In the first, vinyl organometallic reagents. 20 e.g.. vinyl Grignard reagents, of Formula (III) are allowed to react with haloketones of Formula (IV) in the presence of ethereal solvents, such as THF or diethyl ether, at a temperature ranging from -90° to 60°C. preferably -10° to 50°C. for 0.5 to 24 hours. 25 Depending on the reaction conditions and the value of X in the haloketone starting material (IV). the product may be an oxirane (II). a halohydrin (Ila) or a mixture of (II) and (Ila). If desired, the halohydrin6 (Ila) may be converted to oxiranes (II) by 30 treatment with base, e.g., potassium hydride (KH), in a solvent such as THF.
16
b,
234 84 1
o n
17
Scheme 2
CRR O
A(CH_) C-M + B-C-C-X
2'n " " w/\~" THF
F*\ 3,.
* A(CH_ ) C-C-——CR R
b ll I
(Ila)
R3 R4
(III) (IV)
M=MgX, Li X-Cl. Br. I X-Cl. Br. I
? A
A-(CH2)n-C-C—^CR3R4 + Ph3P-CRR1
B *
(II)
A
KH
B
(V)
In the second method, keto-oxiranes of formula (V) are olefinated with, for example. Wittig reagents, which provide epoxy-olefins of Formula (II). 20 Unsaturated ketones of Formula (VII) can be converted to expoxy-olefins (II) by treatment with dimethylsulfonium methylide. The enones (VII) can be prepared by treatment of ketones of Formula (VI) with carbonyl compounds and appropriate catalysts (Scheme 25 3).
Scheme 3
A(CH_) CH-CB 30 2 n 2
RR'C=»0
CRR
A(cH2)nC-CB
L
+ -
(CH3)2SCH2
-> (II)
(VI)
(VII)
17
234 8
18
Unsaturated ketones of Formula (VIII) can be converted to epoxyketones (V) using basic hydrogen peroxide. Olefination of (V), as described above, provides epoxyolefins (II) (Scheme 4).
Scheme 4
2 2 O
ACCH2>„C-C-B NaQH > AtCHjJ^-B > (II)
CR3E4 *0 3 4
CR R
(VIII) (V)
The vinyl organometallics of Formula (III) are prepared using standard procedures from the corresponding chlorides, bromides or iodides. The haloolefins. the haloketones of Formula (IV). the keto-oxiranes of Formula (V) and the ketones of Formula (VI) are known, or can be prepared using methods known to one skilled in the art.
Compounds of Formula (I) can also be prepared by olefination of ketones (IX) with, for example, Wittig reagents (Scheme 5). Ketones of Formula (IX) where R2. R3 and R4 ■ H are known (EP 117578A).
Scheme 5
. . . CRR « . .
O OR2 R3 R4 , II OR R R4
R R~ . OR R R"
A(CH„)C-C Ph3P-CRR A(CH0) C-C
n ' V^N > A \^N
b b
(IX) (I)
18
234 8 4 1
19
Compounds of general Formula (I) where R3 and/or
4
R ¥ H can be made as shown in Scheme 6 by reacting ketones of general Formula (X) with the appropriate organoraetallic reagent (e.g. Grignard reagent, organolithiura reagent). The ketones (X) are prepared by conventional methods from the corresponding a-haloketones (IV) (see e.g. EP 0044605. UK 2099818A. UK 146224, EP 1337718. and EP 0153803).
Scheme 6
a,
e3 r4 r3 r4
(iv) (x)
X-Br, Cl. I
b) (X) + A-(CH2)n/EfM
(I)
(III)
M»MgX. Li X-Cl, Br, I
Compounds of Formula (I) where A=(heterocycle)-phenyl can be prepared from appropriately substituted precursors using the methods described above, or by 30 using substitution reactions on (I) wherein A is halophenyl. For example, compounds of Formula (I) where A is (pyridyl)phenyl can be prepared by treatment of (I), wherein A is bromophenyl or iodophenyl. with the appropriate pyridylstannanes in
19
i i n
°
234 84 1
the presence of palladium catalysts (see Tetrahedron Letters. 21_. 4407. 1986). Copper assisted displacement of halogen (Tetrahedron. 4(). 1433. 1984) with heterocyclic nucleophiles provides compounds of 5 Formula (I) where A is for example 1-iraidazolylphenyl.
In some cases, it may be desirable to begin with compounds of Formula I. wherein A is aminophenyl, and construct the heterocyclic ring using X(CH2CH2C1)2 (see ES 8603-473-A).
The compounds of Formula (I) where Q*H can be prepared as shown in Scheme 7. Metalation of (I). Q»H with strong base provides the 5-metalated triazoles (la) (See Heterocycles. 23. 1645-49. 1985). When R2 is H. 2 equivalents of base are required. Typical 15 conditions involve treatment of a solution of (I) in THF at -70° with n-butyllithium for 15-30 minutes. Where the metalated triazole (la) is less soluble than (I), the addition of co-solvents, such as dimethylpropyleneurea (DHPV) may be beneficial.
Scheme 7
I?®1*1 2 d4 1 CRR1 OR2 R4
fl OR R strong c—c—^7
)»
AC-
B H (I)
1 2 4 9 CRR1 ORZ R ^
electrophiles ^ A_n 1
t \o
> AC C C
(I)
<I»> > . 1 \
B H
• ••.. ... .. • f
234841
©
21
The treatment of (la) with electrophiles gives a wide variety of (I) where Q ¥ H. Electrophiles of relevance include halogenating agents, sulfur, disulfides, carbon dioxide, diraethyl-5 amides and sulfur dioxide followed by alkyl halides. Subsequent functionalization. using methods known to one skilled in the art. provide other compounds of Formula (I) wherein Q ¥ H. For example, the treatment of (I), where Q is SH with isocyanates or 1Q phthalimidosulfides provides thiocarbamates (I:
° \
12\ 12
0 - SCNHR yor disulfides (I; Q - SSR ), respectively.
The compounds of general Formula (I) where E i6 oxygen can be prepared by oxidation of compounds of IS general Formula (I) where E is a bond provided that R, R1 ¥ halogen using methods described in the literature (Scheme 8):
Scheme 8
CRR
—> A<CtVn-
Suitable reagents which can effect this oxidation. depending on the nature of the substituents. include peracids such as m-chloroperbenzoic acid; hydroperoxides such as tert-butyl hydroperoxide in the presence of an appropriate catalyst such as vanadium acetonylacetonate; or hydrogen peroxide. Alterna-35 tively. the transformation can be effected by first
21
23 4 8 4 1
22
forming the halohydrin with a hypohalous acid such as hypobroraous acid and then reacting the intermediate halohydrin with a proton acceptor such as potassium tert-butoxide.
It will be noted by those skilled in the art that, depending on the nature of the compound to be oxidized, a mixture of diastereomers can be obtained. This can be controlled through selection of appropriate oxidation methods or. alternatively, the resulting mixture of diastereomers can be separated in a conventional manner (e.g. chromatography, fractional crystallization).
2
Compounds of Formula (I) where R is H can be alkylated, acylated and carbamoylated. using standard 15 procedures, to prepare functional derivatives of the alcohol moiety.
The compounds of this invention and their preparation can be understood further by the following examples, but should not constitute a limitation 2Q thereof. In these examples, unless otherwise indicated, all temperatures are in degrees centigrade and parts and percentages are by weight.
Nuclear magnetic resonance (nmr) spectra were obtained in CDCl^ solution, unless otherwise noted. Abbreviations for nmr spectra are s-singlet.
d=doublet. t»triplet. q«quartet. m=multiplet; peak positions are reported as parts per million downfield from tetramethylsilane.
22
234 84 1
23
Example 1
PART A: 2-(4-Fluorophenyl)-2-[1-(4-fluorophenyl)-
ethenyl] oxirane PROCESS 1: Grignard Addition to an a-Haloketone
To a 25° solution of Grignard reagent prepared from 6.0 g (0.030 mol) of l-brorao-4'-fluorostyrene and 0.85 g (0.035 raol) of magnesium turnings in 60 mL of THF was added a solution of 5.2 g (0.030 mol) of 2-chloro-4'-fluoroacetophenone in 10 mL of THF. The solution was 6tirred for 2 hours at 25°. Saturated aqueous NH^Cl (10 mL) was added, the aqueous layer was extracted with 1:1 EtzO/hexane and the combined organic layers were washed with brine, dried over 15 MgS04 and evaporated to give 10.2 g of an amber oil. Analysis by NMR (CDC13) indicated that the desired oxirane was the major product: 6 3.1. 3.3 (two d. epoxide protons; 5.5, 5.8 (two s. vinyl protons). The material was of sufficient purity to be used in the 2Q next step.
PROCESS 2: Olefination of 2-(4-Fluorophenyl)-2-(4-fluorobenzoyl)oxirane
To a suspension of 4.3 g (0.012 mol) of methyltriphenylphosphonium bromide in 15 mL of THF cooled to -70° was added 8.4 mL (0.013 mol) of 1.55 M n-butyllithium over 3 tain., keeping the temperature at less than -55°. The resulting yellow suspension was allowed to warm to 0° over 10 rain, and was then treated with 2.6 g (0.010 mol) of 2-(4-fluorophenyl)-2-(4-fluorobenzoyl)oxirane in 5 mL of THF. The light-brown suspension was stirred for 6 hours at 25°. Standard workup gave 3.4 g of crude product which was flash chromatographed (Et20) to give 1.7 g
23
234 84 1
24
of the desired product, which was of sufficient purity to be used in the next step. NMR (CDC13) 6 3.1 (d): 3.3 (d); 5.5 (s): 5.8 (s).
PART B: 2.3-Bis (4-Fluorophenyl)-l-(lH-1.2.4-triazol-l-yl )-3-buten-2-ol
A mixture of 10.2 g (0.030 raol) of crude 2-(4-fluorophenyl)-2-[l-(4-fluorophenyl)ethenyl]oxirane and 7.0 g (0.065 mol) of potassium triazole in 60 mL of DMF was heated at 60° overnight, then cooled and poured into 100 mL of 1:1 Et20/hexanes. After washing the organic layer three times with H20 and once with brine, a precipitate formed in the organic layer. Filtering gave 4.8 g of a brown solid which was recrystallized from 500 mL of cyclohexane to yield 2.5 g of a light-tan powder, mp 136-137°: NMR (CDC13) 6 1.7 (br s. OH); 4.7 (q. 2H); 5.3 (s. 1H); 5.5 (s. 1H); 6.8-7.1 (m. 6H); 7.4 (m. 2H); 7.8 (s. 1H); 7.9 (s.
2£) 1H); IR (nujol) 3120 (br). 1900. 1600. 1505. 1220.
1139. 835 cm"1.
%
The compounds shown in Table 1 were prepared or can be prepared by the method described hereinabove.
In the tables. Ph means phenyl and substituted aryl groups are abbreviated, e.g.. 4-F-Ph is 4-fluorophenyl. 2.4-Cl2~Ph is 2.4-dichlorophenyl and 2-thienyl is thiophen-2-yl.
24
©
23484 1
Table 1
CRR
A(CH,y 2 n
2
08
C~\£
Ex. No.
_ _1 _2 _3 _4 n R R R R R M.P. *C
1
4-F-Ph
4-F-Ph
0 H H
H
H
H
136-137
(HCl salt 182-184)
2
4-F-Ph
2,4-Cl2-Ph
0 H H
H
H
H
139-143
3
4-F-Ph
4-Cl-Ph
0 H H
H
H
H
(oil)a
4
4-F-Ph
2,4-F2-Ph
0 H H
H
H
H
102-103.5
4-F-Ph
4-CF3-Ph
0 H H
H
H
H
6
4-F-Ph n_C4H9
0 H H
H
H
H
72-73
7
4-F-Ph
~~C4F9
0 H H
H
H
H
8
2-F-Ph
Ph
0 H H
H
H
H
9
2-F-Ph
2-F-Ph
0 H H
H
H
H
89-93
2-F-Ph
4-F-Ph
0 H H
H
H
H
(oil)b
11
2-F-Ph
2,4-F2-Ph
0 H H
H
H
H
121-122
12
2-F-Ph
2-Cl-Ph
0 H H
H
H
H
13
2-F-Ph
4-Cl-Ph
0 H H
H
H
H
116-117
14
2-F-Ph
2,4-Cl2-Ph
0 H H
H
H
H
115-116
3-F-Ph
4-F-Ph
0 H H
H
H
K
106-109
16
3-F-Ph
2,4-Cl2-Ph
0 H H
H
H
H
145-14 7
17
3-F-Ph
4-Cl-Ph
0 H H
H
H
H
101-102
18
3-F-Ph
2,4-F2-Ph
0 H H
H
H
H
19
3-F-Ph
4-CF3-Ph
0 H H
H
H
H
3-F-Ph
-~C4H9
0 H H
H
H
H
f)
o
26
Table 1 (Continued)
EX- 12 3 4 No. A B SELLLL H.P.'C
21 3-F-Ph n-CAF. 0 H H H H H
~ 4 9
22 3-F-Ph Ph 0 H H H H H
23 3-F-Ph 2-F-Ph O H H H H H
24 3-F-Ph 2-Cl-Ph 0 H H H H H
("""l 25 4-Cl-Ph 4-F-Ph 0 H H H H H 110-115
W 10
26 4-Cl-Ph 2,4-Cl -Ph 0 H H H H H 89-91
(HCl salt 184-190)
27 4-Cl-Ph 4-Cl-Ph 0 H H H H H 132-135
28 4-Cl-Ph 2,4-F2-Ph 0 H H H H H 124-125.5
29 4-Cl-Ph 4-CF3-Ph O H H H H H
4-Cl-Ph n-C.H 0 H H H H H
— 4 9
31 4-Cl-Ph n-C.F O H H H H H
— 4 9
32 2-Cl-Ph 4-F-Ph 0 H H H H H (oil)C 20 33 2-Cl-Ph 2,4-Cl2-Ph 0 H H H H H 150-152
34 2-Cl-Ph 4-Cl-Ph 0 H H H H H 153-154
(HCl salt 175-180)
O 35 2-Cl-Ph 2,4-F -Ph 0 H H H H H 128-129
(HCl salt
156-161)
36 2-Cl-Ph 4-CF3-Ph 0 H H H H H
37 2-Cl-Ph n-C.H_ 0 H H H H H
jms. - 4 9
38 2-Cl-Ph n-C.F 0 H H H H H
39 3-Cl-Ph 4-F-Ph 0 H H H H H 95-96.5
40 3-Cl-Ph 2,4-Cl2-Ph 0 H H H H H 144-146
41 3-Cl-Ph 4-Cl-Ph 0 H H H H H 112-115
26
234 84 1
W?
n
G
27
Table
1 (Continued)
Ex. Mo.
A
B
n R R
[ R
2 d3 „4 R R
M.P.'C
42
3-Cl-Ph
2,4-F2-Ph
0 H H
H
H
H
115-116
43
3-Cl-Ph
4-CF3-Ph
0 H H
H
H
H
44
3-Cl-Ph a~C4H9
0 H H
H
H
H
45
3-Cl-Ph n-c4F9
0 H H
H
H
H
46
3-Cl-Ph
Ph
0 H H
H
H
H
47
3-Cl-Ph
2-F-Ph
0 H H
H
H
H
91-93
48
3-Cl-Ph
2-Cl-Ph
0 H H
H
H
H
49
Ph
4-F-Ph
0 H H
H
H
H
125-126
50
Ph
2t4-Cl2-Ph
0 H H
H
H
H
117-120
51
Ph
4-Cl-Ph
0 H H
H
H
H
111
52
Ph
2,4-F2-Ph
0 H H
H
H
H
119.5-122 (HCl salt 152-154)
53
Ph
4-CF3-Ph
0 H H
H
H
H
54
Ph
—"C4H9
0 H H
H
H
H
55
Ph
*-C4F9
0 H H
H
H
H
56
2-CF3-Ph
Ph
0 H H
H
H
H
57
2-CF3-Ph
2-F-Ph
0 H H
H
H
H
58
2-CF3-Ph
2-Cl-Ph
0 H H
H
H
H
59
3-CF3-Ph
Ph
0 H H
H
H
H
60
3-CF3-Ph
2-F-Ph
0 H H
H
H
H
61
3-CF3-Ph
2-Cl-Ph
0 H H
H
H
H
62
4-CF3-Ph
Ph
0 H H
H
H
H
63
4-CF3-Ph
2-F-Ph
0 H H
H
H
H
64
4-CF3-Ph
2-Cl-Ph
0 H H
H
H
H
27
i
234 84 1
28
Table 1 (Continued)
O
o
Ex. No.
B
65 4
66 4
67 4
68 4
-CF3-Ph -CF3-Ph -CF3-Ph -CF3-Ph
4-F-Ph n R R_ 0 H H
2,4-Cl2-Ph 0 H H
2 3 4 R R R M.P.'C
H H H 152-154 H H H
4-Cl-Ph 0 H H H H H 144-145 2,4-F2-Ph 0 H H H H H
69
4-CF3~Ph
4-CF3-Ph
0
H
H
H
H
H
70
4-CF3-Ph n~C4H9
0
H
H
H
H
H
71
4-CF3-Ph
-"C4F9
0
H
H
H
H
H
72
2-Br-Ph
Ph
0
H
H
H
H
H
73
2-Br-Ph
2-F-Ph
0
H
H
H
H
H
74
2-Br-Ph
4-F-Ph
0
H
H
H
H
H
75
2-Br-Ph
2,4-F2-Ph
O
H
H
H
H
H
76
2-Br-Ph
2-Cl-Ph
O
H
H
H
H
H
77
2-Br-Ph
4-Cl-Ph
O
H
H
H
H
H
78
2-Br-Ph
2,4-Cl2-Ph
O
H
K
H
H
K
79
3-Br-Ph
Ph
O
H
H
H
K
H
80
3-Br-Ph
2-F-Ph
O
H
H
H
K
H
81
3-Br-Ph
2-Cl-Ph
O
H
H
H
H
H
82
4-Br-Ph
Ph
O
H
H
H
H
H
83
4-Br-Ph
2-F-Ph
O
H
H
H
H
H
84
4-Br-Ph
2-Cl-Ph
O
H
H
H
H
H
85
4-Br-Ph
4-F-Ph
0
H
H
H
H
H
86
4-Br-Ph
2,4-Cl2-Ph
0
H
H
H
H
H
87
4-Br-Ph
4-Cl-Ph
0
H
H
H
H
H
88 4-Br-Ph 2,4-F2~Ph 0 H H K H H
89 4-Br-Ph 4-CFj-Ph 0 H H H H H
90 4-Br-Ph S-C4H9 0 H H H H H
(oil)
28
234 84 1
*®£S
29
Table 1 (Continued)
G
Ex. No.
o
91 4-Br-Ph
92 2,4-F2-Ph
93 2,4-F2-Ph
94 2,4-F2-Ph
95 2,4-F -Ph
2
96 2,4-F2-Ph
97 2,4-Fj—Ph
98 2,4-F2-Ph
99 2,4-Cl-Ph 2
100 2,4-Cl2-Ph
101 2,4-Cl2-Ph
102 2,4-Cl2-Ph
103 2,4-Cl2-Ph
104 2,4-Cl2-Ph
105 "2,4-Cl2-Ph
106 2,4-Cl2-Ph
107 2,4-Cl2-Ph
108 2,4-Cl2-Ph
109 3,4-Cl2-Ph
110 3,4-Cl2-Ph
111 3,4-Cl2-Ph
112 4-t-Bu-Ph
113 4-t-Bu-Ph n-c4F9
Ph
2-F-Ph
4-F-Ph
2,4-F -Ph 2
2-Cl-Ph 4-Cl-Ph
2,4-Cl2-Ph
4-F-Ph
2,4-Cl2-Ph 4-Cl-Ph
2,4-F2-Ph 4-CF3-Ph n-c4H9
a"C4F9 Ph
2-F-Ph
2-Cl-Ph
Ph
2-F-Ph
2-Cl-Ph
Ph
2-F-Ph n R R1 R2 R3 R4 M.P.'C
0 H H H H H 0 H H H H H
O H H H H H 106-108
0 H H H H H 100-103
0 H H H H H 116-120
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H (oil)®
0 H H H H H 75-78
0 H H H H H 60-62
0 H H H H H 106-109
0 H H H H H
O H H H H H
O H H H H H
0 H H H H H
0 H H H H H 68-73
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
29
?
234 84 1
n
Table 1 (Continued)
E*' 12 3 4
No. A B n R R_ R_ R_ R_ M.P.'C
114 4-t-Bu-Ph 4-F-Ph 0 H H H H H 110-113
115 4-t-Bu-Ph 2,4-F^-Ph 0 H H H H H
116 4-t-Bu-Ph 2-Cl-Ph 0 H H H H H
117 4-t-Bu-Ph 4-Cl-Ph 0 H H H H H (oil)f 10 118 4-t-Bu-Ph 2,4-Cl^—Ph 0 H H H H H
119 2-CH3S-Ph Ph 0 H H H H H
120 2-CH3S-Ph 2-F-Ph 0 H H H H H
121 2-CH3S-Ph 4-F-Ph 0 H H H H H 15 122 2-CH3S-Ph 2,4-F2-Ph 0 H H H H H
123 2-CH3S-Ph 2-Cl-Fh 0 H H H H H
124 2-CH^S-Ph 4-Cl-Ph 0 H H H H H
125 2-CHjS-Ph 2,4-Cl2-Ph 0 H H H H H
126 2-CH3S(0)-Ph Ph 0 H H H H H
127 2-CH3S(0)-Ph 2-F-Ph 0 H H H H H
128 2-CH3S(0)-Ph 4-F-Ph 0 H H H H H
129 2-CH3S(0)-Ph 2,4-F2-Ph 0 H H H H H
130 2-CH3S(0)-Ph 2-Cl-Ph 0 H H H H H
131 2-CH3S(0)-Ph 4-Cl-Ph 0 H H H H H
132 2-CH3S(0)-Ph 2,4-Cl2-Ph 0 H H H H H 3Q 133 2-CH3S(0)2-Ph Ph 0 H H H H H
134 2-CH3S(0)2-Ph 2-F-Ph 0 H H H H H
135 2-CH3S(0)2-Ph 4-F-Ph 0 H H H H H
136 2-CH3S(0)2-Ph 2,4-F2-Ph 0 H H H H H
'W>HS?SSnS!»^v > J, '''" - ' '•'' - ''"
234 84 1
31
Table 1 (Continued)
Ex.
No. A
B
r v^y
137 2-CH3S(0)2-Ph 2-Cl-Ph
138 2-CH3S(0)2-Ph 4-Cl-Ph
139 2-CH3S(0)2-Ph 2,4-Cl2-Ph
140 3-CH3S-Ph Ph
141 3-CH3S-Ph 2-F-Ph
142 3-CH3S-Ph 4-F-Ph
143 3-CH3S-Ph 2,4-F2-Ph
144 3-CH3S-Ph 2-Cl-Ph
145 3-CH3S-Ph 4-Cl-Ph
146 3—CHjS—Ph 2,4-Cl2-Ph
147 3-CH3S(0)-Ph Ph
148 3-CH3S(0)-Ph 2-F-Ph
149 3-CH3S(0)-Ph 4-F-Ph
150 3-CH3S(0)-Ph 2,4-F2-Ph
151 3-CH3S(0)-Ph 2-Cl-Ph
152 3-CH3S(0)-Ph 4-Cl-Ph
153 3-CH3S(0)-Ph 2,4-Cl2-Ph
154 3-CH3S(0)2-Ph Ph
155 3-CH3S(0)2-Ph 2-F-Ph
156 3-CH3S(0)2-Ph 4-F-Ph
157 3-CH3S(0)2-Ph 2,4-F2-Ph
158 3-CH3S(0)2-Ph 2-Cl-Ph
159 3-CH3S(0)2-Ph 4-Cl-Ph
160 3-CH3S(0)2-Ph 2,4-Cl2-Ph n R R1 R2 R3 R4 M.P.'C
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 K H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 K H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
31
jmmKmismmKsmmim-j/Zisxzsi* srasMtwv
—
i
I
r
234 8
32
Table 1 (Continued)
Ex •
Wo. A B n R r!r! Hi M.P.'C
161 4-CH3S-Ph Ph O H H H H H
162 4-CH3S-Ph 2-F-Ph 0 H H H H H
163 4-CH^S-Ph 4-F-Ph O H H H H H 140-142
164 4-CH.S-Ph 2,4-F -Ph 0 H H H H H 81-83
\ 10 165 4-CH3S-Ph 2-Cl-Ph 0 H H H H H
166 4-CH3S-Ph 4-Cl-Ph 0 H H H H H
167 4-CH3S-Ph 2,4-Cl2-Ph 0 H H H H H
168 4-CH3S(0)-Ph Ph 0 H H H H H
169 4-CH3S(0)-Ph 2-F-Ph O H H H H H
. 170 4-CH3S(0)-Ph 4-F-Ph 0 H H H H H 81-84
171 4-CH3S(0)-Ph 2,4-F2-Ph 0 H H H H H 131-134
172 4_CH3St0)-Ph 2-Cl-Ph 0 H H H H H
i
: 173 4-CH3S(0)-Ph 4-Cl-Ph 0 H H H H H
174 4-CH3S(0)-Ph 2,4-Cl2-Ph 0 H H H H H
175 4-CH3S(0)2-Ph Ph 0 H H H H H 25 176 4-CH3S(0)2-Ph 2-F-Ph 0 H H H H H
177 4-CH3S(0)2-Ph 4-F-Ph 0 H H H H H 135
178 4-CH3S(0)2-Ph 2,4-F2-Ph 0 H H H H H
179 4-CH3S(0)2-Ph 2-Cl-Ph 0 H H H H H
180 4-CH3S(0)2-Ph 4-Cl-Ph 0 H H H H H
181 4-CH3S(0)2-Ph 2,4-Cl2-Ph 0 H H H H H
32
~
23 4 ^4 1
o
<& 10
siSs
33
Table 1 (Continued)
EX' 12 3 4
Ho. A B n R R R R R M.P.T
182 3-n-BuS(0)
-Ph 4-F-Ph
0 H H
H
H
H
183 3-n-BuS(0)
-Ph 2,4-F2-Ph
0 H H
K
H
H
184 3-n-BuS(0)
-Ph 4-Cl-Ph
0 H H
H
H
H
185 3-n-BuS(0)
-Ph 2-4-Cl2-Ph
0 H H
H
H
H
186 2-CF30-Ph
Ph
0 H H
H
H
H
187 2-CF^O-Ph
2-F-Ph
0 H H
H
H
H
188 2-CF30-Ph
4-F-Ph
0 H H
H
H
H
189 2-CF30-Ph
2,4-F2-Ph
0 K H
K
H
H
190 2-CF30-Ph
2-Cl-Ph
0 H H
H
H
H
191 2-CF30-Ph
4-Cl-Ph
0 H H
H
H
H
192 2-CF30-Ph
2,4-Cl2-Ph
0 H H
H
H
H
193 3-CF30-Ph
Ph
0 H H
H
H
H
194 3-CF30-Ph
2-F-Ph
0 H H
H
H
K
195 3-CF30-Ph
4-F-Ph
0 H H
H
H
H
196 3-CF^O-Ph
2,4-F2-Ph
0 H H
H
H
H
197 3-CF30-Ph
2-Cl-Ph
0 H H
H
H
H
198 3-CF30-Ph
4-Cl-Ph
0 K H
H
H
H
199 3-CF30-Ph
2,4-Cl2-Ph
0 H H
H
H
H
200 4-CF30-Ph
Ph
0 H H
H
H
H
201 4-CF30-Ph
2-F-Ph
0 H H
H
H
H
202 4-CF30-Ph
4-F-Ph
0 H H
H
H
H
203 4-CF30-Ph
2,4-F2-Ph
0 H H
H
H
H
204 4-CF30-Ph
2-Cl-Ph
0 H H
H
H
H
33
;V;:r-'"''5::""'-"',J""-• J ■ . '
234 84 1
<D
34
Table 1 (Continued)
EX'
Mo. A B n R R1 R R3 R4 M.P.'C
205 4-CF^O-Ph
4-Cl-Ph
0 H H
H
H
H
206 4-CF^O-Ph
2,4-Cl2-Ph
0 H H
H
H
H
207 4-F-l-naphthyl
2-F-Ph
0 H H
H
H
H
208 1-naphthyl
4-F-Ph
0 H H
H
H
H
209 1-naphthyl
2,4-F2-Ph
0 H H
H
H
H
210 1-naphthyl
2-Cl-Ph
0 H H
H
H
H
211 2-Cl-l-naphthyl
. 4-Cl-Ph
0 H H
H
. H
H
212 1-naphthyl
2.4-Cl2-Ph
0 H H
H
H
H
213 2-naphthyl
2-F-Ph
0 H H
H
K
H
214 2-naphthyl
4-F-Ph
0 H H
H
H
H
215 2-naphthyl
2,4-F2-Ph
0 H H
H
H
K
216 2-naphthyl
2-C1
0 H H
H
H
H
217 l-Cl-2-naphthyl
4-Cl-Ph
0 H H
H
H
H
218 2-naphthyl
2,4-Cl2-Ph
0 H H
H
H
H
219 2-thienyl
Ph
0 H H
H
H
H
220 2-thienyl
2-F-Ph
0 H H
H
H
H
221 2-thienyl
4-F-Ph
0 H H
H
H
H
222 2-thienyl
2,4-F,-Ph
0 H H
H
H
H
223 2-thienyl
2-Cl-Ph
0 H H
H
H
H
224 2-thienyl
4-Cl-Ph
0 H H
H
H
H
225 2-thienyl
2,4-Cl2-Ph
0 H H
H
H
H
226 3-thienyl
Ph
0 H H
H
H
H
227 3-thienyl
2-F-Ph
0 H H
H
H
H
228 3-thienyl
4-F-Ph
0 H H
H
H
H
229 3-thienyl
2,4-F2-Ph
O H H
H
H
H
230 3-thienyl
2-Cl-Ph
0 H H
H
H
H
231 3-thienyl
4-Cl-Ph
0 H H
H
H
H
232 3-thienyl
2,4-Cl2-Ph
0 H H
H
H
H
104-106
34
234841
o
C^/ 10
Table 1 (Continued)
No.
A
B
n
R
si
R!
B!
r!
233
2-Cl-3-thienyl
Ph
0
H
H
H
H
H
234
2-Cl-3-thienyl
2-F-Ph
0
H
H
H
H
H
235
2-Cl-3-thienyl
2-Cl-Ph
0
H
H
H
H
H
236
-Cl-2-thienyl
Ph
0
H
H
H
H
H
237
-Cl-2-thienyl
2-F-Ph
0
H
H
H
H
H
238
-Cl-2-thienyl
2-Cl-Ph
0
H
H
H
H
H
239
2,5-Cl2-3-thienyl
Ph
0
H
H
H
H
H
240
2,5-Cl2-3-thienyl
2-F-Ph
0
H
H
H
H
H
241
2,5-Cl2-3-thienyl
4-F-Ph
0
H
H
H
H
H
H.P."C
242
2,5-Cl2-3-thienyl
2,4-F2-Ph
0
H
H
H
H
H
243
2,5-Cl2-3-thienyl
2-Cl-Ph
0
H
H
H
H
H
244
2,5-Cl2-3-thienyl
4-Cl-Ph
0
H
H
H
H
H
245
2,5-Cl2-3-thienyl
2,4-Cl2-Ph
0
H
H
H
H
H
246
-bromo-2-thienyl
Ph
0
H
H
H
H
H
247
-bromo-2-thienyl
2-F-Ph
0
H
H
H
H
H
248
-bromo-2-thienyl
4-F-Ph
0
H
H
H
H
H
249
-bromo-2-thienyl
2,4-F2-Ph
0
H
H
H
H
H
250
-bromo-2-thienyl
2-Cl-Ph
0
H
H
H
H
H
251
-bromo-2-thienyl
4-Cl-Ph
0
H
H
H
H
H
252
-bromo-2-thienyl
2,4-Cl2-Ph
0
H
H
H
H
H
253
2-pyridyl
Ph
0
H
H
H
H
H
254
2-pyridyl
2-F-Ph
0
H
H
H
H
H
255 2-pyridyl
2-Cl-Ph
0
H
H
H
H
H
256
3-pyridyl
Ph
0
H
H
H
H
H
257
3-pyridyl
2-F-Ph
0
H
H
H
H
H
258
3-pyridyl
2-Cl-Ph
0
H
H
H
H
H
-iW«* r^-xiXh
234
36
Table 1 (Continued)
Ex. No.
n R R
R2 R3 R4 M.P.*C
259 4-pyridyl
Ph
0 H H
H
H
H
260 4-pyridyl
2-F-Ph
0 H H
H
H
H
261 4-pyridyl
2-Cl-Ph
0 H H
H
H
H
262 5-Cl-2-pyridyl
Ph
0 H H
H
H
H
263 5-Cl-2-pyridyl
2-F-Ph
0 H H
H
H
H
264 5-Cl-2-pyridyl
2-Cl-Ph
0 H H
H
H
H
265 2-Cl-3-pyridyl
Ph
0 H H
H
H
H
266 2-Cl-3-pyridyl
2-F-Ph
0 H H
H
H
H
267 2-Cl-3-pyridyl
4-F-Ph
0 H H
H
H
H
268 2-Cl-3-pyridyl
2,4-F2-Ph
0 H H
H
H
H
269 2-Cl-3-pyridyl
2-Cl-Ph
0 H H
H
H
H
270 2-Cl-3-pyridyl
4-Cl-Ph
0 H H
H
H
H
271 2-Cl-3-pyridyl
2,4-Cl2-Ph
0 H H
H
H
H
272 3-Cl-2-pyridyl
Ph
0 H H
H
H
H
273 3-Cl-2-pyridyl
2-F-Ph
0 H H
H
H
H
274 3-Cl-2-pyridyl
4-F-Ph
0 H H
H
H
H
275 3-Cl-2-pyridyl
2,4-F2-Ph
0 H H
H
H
H
276 3-Cl-2-pyridyl
2-Cl-Ph
0 H H
H
H
H
277 3-Cl-2-pyridyl
4-Cl-Ph
O H H
H
H
H
278 3-Cl-2-pyridyl
2,4-Cl2-Ph
O H H
H
H
H
279 6-Cl-3-pyridyl
Ph
0 H H
H
H
K
280 6-Cl-3-pyridyl
2-F-Ph
O H H
H
H
H
281 6-Cl-3-pyridyl
4-F-Ph
O H H
H
H
H
282 6rCl-3-pyridyl
2,4-F2-Ph
0 H H
H
H
H
283 6-Cl-3-pyridyl
2-Cl-Ph
O K H
H
H
H
284 6-Cl-3-pyridyl
4-Cl-Ph
0 H H
H
H
H
285 6-Cl-3-pyridyl
2,4-Cl2-Ph
O H H
H
H
H
36
37
Table 1 (Continued)
EX" 12 3 4
Wo. A B n R R_ R_ R_ R_ M.P.'C
286 Ph 4-F-Ph OH CH3 H H H 108-111
287 Ph 4-F-Ph OH F H H H
288 Ph 4-F-Ph OH Cl H H H
289 Ph 4-F-Ph OH Br H H H
290 Ph 4-F-Ph O -(CH2)2- H H H
291 Ph 4-F-Ph OH Ph H H H (oil)6
292 Ph 4-F-Ph O CH3 CH3 H H H
293 Ph 4-F-Ph OF F H H H
294 Ph 4-F-Ph 0 Cl Cl H H H
295 4-F-Ph 4-F-Ph OH CH3 H H H .
296 4-F-Ph 4-F-Ph OH F H H H
297 4-F-Ph 4-F-Ph OH Cl H H H
298 4-F-Ph 4-F-Ph OH Br H H H 20 299 4-F-Ph 4-F-Ph O -(CH^- H H H
300 4-F-Ph 4-F-Ph O CH, CH H H H
3 3
301 4-F-Ph 4-F-Ph OF F H H H
302 4-F-Ph 4-F-Ph 0 Cl Cl H H H
303 4-Cl-Ph 2,4-Cl2-Ph OH CH3 H H H
304 4-Cl-Ph 2,4-Cl2-Ph OH F H H H
305 4-Cl-Ph 2,4-Cl2-Ph OH Cl H H H
306 4-Cl-Ph 2,4-Cl2-Ph OH Br H H H 30 307 4-Cl-Ph 2,4-Cl2-Ph 0 -(CH^- H H H
308 4-Cl-Ph 2,4-Cl2-Ph 0 CH3 CH3 H H H
309 4-Cl-Ph 2,4-Cl2-Ph OF F H H H
310 4-Cl-Ph 2,4-Cl2-Ph 0 Cl Cl H H H
3 5 311 2-Cl-Ph 4-Cl-Ph OH CH3 H H H
312 2-Cl-Ph 4-Cl-Ph OH F H H H
37
r- - - •
234 8
c
I r>;
; 'Urtkjr^
i
?
;,
;
38
Table 1 (Continued)
Ex.
Mo. A B n R "R_
313 2-Cl-Ph 4-Cl-Ph OH Cl
314 2-Cl-Ph 4-Cl-Ph OH Br
315 2-Cl-Ph 4-Cl-Ph 0 -(CH^-
316 2-Cl-Ph 4-Cl-Ph 0 CH3 CH3 H H H
R!
R!
R4 M.P.-C
H
H
H
H
H
H
H
H
H
317
2-Cl-Ph
4-Cl-Ph
0
F
F
H
H
H
318
2-Cl-Ph
4-Cl-Ph
0
Cl
Cl
H
H
H
319
4-F-Ph
4-F-Ph
0
H
C2H5
H
H
H
320
4-F-Ph
4-F-Ph
0
H
i"C3H7
H
H
H
321
4-F-Ph
4-F-Ph
0
H
n-c4«9
H
H
H
322
4-F-Ph
4-F-Ph
0
H
Ph
H
H
K
323
4-F-Ph
4-F-Ph
0
CH3
t-CAH9
H
H
H
324
4-F-Ph
4-F-Ph
0
CH3
Ph
H
H
H
325
4-F-Ph
4-F-Ph
0
H
I
H
H
H
326
4-F-Ph
4-F-Ph
0
CH3
F
H
H
H
327
4-F-Ph
4-F-Ph
0
%
Cl
H
H
H
328
4-F-Ph
4-F-Ph
0
Br
Br
H
H
H
329
4-F-Ph
4-F-Ph
0
-(CH
2?3-
K
H
H
330
4-F-Ph
4-F-Ph
0
-(CH
2}4"
H
H
H
331
4-F-Ph
4-F-Ph
0
-(CH
2}5"
H
H
H
332
4-F-Ph
4-F-Ph
0
-(CH
2}6~
H
H
H
333
4-CH3-Ph
4-F-Ph
0
H
CH3
H
H
H
334
4-F-Ph
4-F-Ph
1
H
CH3
H
H
H
335
4-Cl-Ph
4-F-Ph
4
H
CH3
H
H
H
336
*"C4F9
4-F-Ph
0
H
CH3
H
H
H
337
(ch3)2n
4-F-Ph
1
H
ch3
H
H
H
338
-Cl-thio-phen-2-yl
4-F-Ph
0
H
ch3
H
h
H
38
, _ . K;Joc-.'A- ww
.atawrff-xv-ii tw.-vr^v - 1 r ^
\ n.
39
Table 1 (Continued)
Ex. 2 2*
Ho. A B n R R_ R R r'
339 2-Cl-thio- 4-F-Ph OH CH3 H H H phen-3-yl
340 1-imida- 4-F-Ph OH CH, H H H zoyl 3
341 1,2,4-tria- 4-F-Ph OH CH H H H zol-l-yl
342 5-chloro-2- 4-F-Ph OH CH3 H H H j pyridyl
| 343 4-F-Ph n-C H OH CH, H H H
.j ""493
] 344 4-F-Ph t-C^Hg OH CH3 H H H
\
i 345 4-F-Ph n-C,Fw OH CH_ H H H
j , c - 4 9 3
I 15
| 346 4-CH -Ph 4-F-Ph OH F H H H
G
347 4-F-Ph 4-F-Ph 1 H F H H H
348 4-Cl-Ph 4-F-Ph 4 H F H H H
349 n-C.Fft 4-F-Ph OH F H H H A 9
350 (CH3)2H 4-F-Ph 1 H F H H H
351 5-C1- 4-F-Ph OH F H H H thiophen-
2-yl
352 2-C1- 4-F-Ph OH F H H H 2 g thiophen-
2-yl
353 1-imida- 4-F-Ph OH F H H H royl
354 1,2,4- 4-F-Ph OH F H H H triazol-
i-yi
355 5-C1-2- 4-F-Ph OH F H H H pyridyl
356 4-F-Ph 2-C4H9 OH F H H H
357 4-F-Ph £-C4H9 0 H F H H H 35 358 4-F-Ph £-C4F9 OH F H H H
39
40
Table 1 (Continued)
EX' 12 3 4
Mo. A B n R R_ R_ R_ R_ M.P.'C
359 4-F-Ph 4-F-Ph 0 H H CH3 H H (oil)h
360 4-F-Ph 4-F-Ph 0 H H CH2CH-CH2 H H (oil)*
361 4-F-Ph 4-F-Ph 0 H H COCH3 H H (oil)J 1Q 362 4-F-Ph 4-F-Ph 0 H H C02CH3 H H
363 4-F-Ph 4-F-Ph 0 H H COMHO^ H H 164-167
364 4-F-Ph 4-F-Ph 0 H H CONH-nBu H H
365 4-F-Ph 4-F-Ph 0 H H CONHPh H H
366 4-F-Ph 4-F-Ph 0 H H CONH- H H 15 (4-F-Ph)
367 4-F-Ph 4-F-Ph O H H CON(CH3>2 H H
368 2-Cl-Ph 4-Cl-Ph 0 H H CH3 H H
369 2-Cl-Ph 4-Cl-Ph 0 H H CH2CH»CH2 H H 20 370 2-Cl-Ph 4-Cl-Ph O H H C0CH3 H H
371 2-Cl-Ph 4-Cl-Ph 0 H H C0„CH„ H H
2 3
372 2-Cl-Ph 4-Cl-Ph 0 H H C0NHCH.J H H
373 2-Cl-Ph 4-Cl-Ph 0 H H CONH-nBu H H 25 374 2-Cl-Ph 4-Cl-Ph O H H CONHPh H H
375 2-Cl-Ph 4-Cl-Ph O H H CONH- H H
(4-F-Ph)
376 2-Cl-Ph 4-Cl-Ph 0 H H C0N(CH3)2 H H
377 4-Cl-Ph 2,4-Cl2-Ph 0 H H CH3 H H
378 4-Cl-Ph 2,4-Cl2-Ph O H H CH2CH=CH2 H H
379 4-Cl-Ph 2,4-Cl2-Ph 0 H H C0CH3 H H
380 4-Cl-Ph 2,4-Cl2-Ph O H H C02CH3 H H
381 4-Cl-Ph 2,4-Cl2-Ph 0 H H C0NHCH3 H H
382 4-Cl-Ph 2,4-Cl2-Ph O H H CONH-nBu H H
383 4-Cl-Ph 2,4-Cl2-Ph 0 H H CONHPh H H
40
234841
«W
41
Table 1 (Continued)
EX- 12 3 4
No. A B n R R_ R R_ R_ H.P.'C
384 4-Cl-Ph 2,4-C1 -Ph 0 H H C0NH(4-F-Ph) H H
I
385
4-Cl-Ph i 2,4-Cl2-
•Ph 0 H H
con(ch3)2
H
H
386
Ph
4-F-Ph
0 H H
CH3
H
H
387
Ph
4-F-Ph
0 H H
CHCH«*CH„ 2 2
H
H
388
Ph
4-F-Ph
0 H H
coch3
H
H
389
Ph
4-F-Ph
0 H H
co.ch, 2 3
H
H
390
Ph
4-F-Ph
0 H H
cotjhch3
H
H
391
Ph
4-F-Ph
0 H H
CONH-nBu
H
H
392
Ph
4-F-Ph
0 H H
COHHPh
H
H
393
Ph
4-F-Ph
0 H H
C0HH(4-F-Ph)
H
H
394
Ph
4-F-Ph
0 H H
coh(ch3)2
H
H
395
4-F-Ph
4-F-Ph
0 H H
°2H5
H
H
396
4-F-Ph
4-F-Ph
0 H H
i"C3H7
H
H
397
4-F-Ph
4-F-Ph
0 H H
n-c^g
H
H
398
4-F-Ph
4-F-Ph
0 H H
COC H 2 5
H
H
399
4-F-Ph
4-F-Ph
0 H H
CO-tC.H„ — 4 9
H
H
400
4-F-Ph
4-F-Ph
0 H H
COPh
H
H
401
4-F-Ph
4-F-Ph
0 H H
COCH£Ph
H
H
402
4-F-Ph
4-F-Ph
0 H H
conh2
H
H
403
4-F-Ph
4-F-Ph
0 H H
CONH-iC3H?
H
H
404
4-F-Ph
4-F-Ph
0 H H
CONHCH2Ph
H
H
405
4-F-Ph
4-F-Ph
0 H H
CON(CH3)Ph
H
H
41
...-rv
234841
42
Table 1 (Continued)
Ho. A B n R r]; R2 H.P.'C
406 4-F-Ph 4-F-Ph 0 H H CONH(4-Cl-Ph) H H
407 4-F-Ph 4-F-Ph 0 H H C0NH(4-CH3~Ph) H H
408 4-F-Ph 4-F-Ph 0 H H CONH(4-CH3-Ph) H H
409 4-F-Ph 4-F-Ph 0 H H CONH(3-CF3-Ph) H H 10 410 4-F-Ph 4-F-Ph 0 H H C0NH(4-HO2~Ph) H H
411 4-F-Ph 4-F-Ph 0 H H C0tm(2-CH3-Ph) H H
412 4-F-Ph 4-F-Ph 0 H H C0HH(2,4-F2-Ph) H H
413 4-F-Ph 4-F-Ph 0 H H C0HH(2,4-Cl2-Ph) H H
414 4-F-Ph 4-F-Ph 0 H H C0„C„He H H
2 2 5
415 4-F-Ph 4-F-Ph 0 H H C0„-nC H H H
2-49
416 4-F-Ph 4-F-Ph 0 H H CO -tC H„ H H
2-49
417 4-F-Ph 4-F-Ph 0 H H C02CH2Ph H H
418 4-F-Ph 4-F-Ph 0 H H C02Ph H H
419 4-F-Ph 4-F-Ph 0 H H CF2H H H
420 4-F-Ph 4-F-Ph 0 H H CH2CF3 H H
421 4-F-Ph 4-F-Ph O H H CH„CH.,CH_F H H 25 2 2 2
422 4-F-Ph 4-F-Ph 0 H H CH„CH„CH„CH.1Cl H H
2 2 2 2
423 Ph 2,4-F2-Ph 0 H H CH^CECH H H
424 Ph 4-Cl-Ph O H H CH^CECH H H 3Q 425 4-F-Ph 2-F-Ph 0 H H CH^CECH H H
426 4-F-Ph '4-F-Ph 0 H H CH^CECH H H
427 4-F-Ph 2,4-F2-Ph 0 H H CH^CECH H H
428 4-F-Ph 2-Cl-Ph 0 H H CH -CECH H H
2
429 2-Cl-Ph 2,4-F -Ph 0 H H CH„-C=CH H H
2 2
42
■ «=sss;
23 484 1
43
Table 1 (Continued)
r>
rT:
EX. Mo.
B
n R R
430 2-Cl-Ph 4-Cl-Ph
431 4-Cl-Ph 2-F-Ph
0 H H CH2-C=CH 0 H H CH2-C=CH
432 4-Cl-Ph 2,4-F2-Ph 0 H H CH2-C=CH
433 4-F-Ph 4-F-Ph 1 H H H 10 434 4-F-Ph 4-F-Ph 2 H H H
435 4-F-Ph 4-F-Ph 3 H H H
436 4-F-Ph 4-F-Ph 4 H H H
437 2-Cl-Ph 4-Cl-Ph 1 H H H
438 2-Cl-Ph 4-Cl-Ph 2 H H H 15 439 2-Cl-Ph 4-Cl-Ph 3 H H H
440 2-Cl-Ph 4-Cl-Ph 4 H H H
441 4-Cl-Ph 2,4-Cl2-Ph 1 H H H
R3 R<
H H
H H
H H
H H
H H
H H
H H
H H
H H
H H
H H
H H
M.P.*C
43
!
v^i
44
Table 1 (Continued)
Ex. No.
Tl R R1 R2 R3 R4 M.P.'C
442 4-Cl-Ph
2.4-Cl2.
-Ph 2 H H
H
H
H
443 4-Cl-Ph
2,4-Cl2-
-Ph 3 H H
H
H
H
444 4-Cl-Ph
2,4-Cl2-
-Ph 4 H H
H
H
H
445 Ph
4-F-Ph
1 H H
H
H
H
446 Ph
4-F-Ph
2 H H
H
H
H
44 7 OH
4-Cl-Ph
1 H H
H
H
H
(oil)*
448 OH
Ph
1 H H
H
H
H
94-100
449 OH
2,4-Cl2-Ph 1 H H
H
H
H
166-168
450 OH
4-F-Ph
1 H H
H
H
H
115-116
451 OH
4-Br-Ph
1 H H
H
H
H
(foam)^"
452 OH
4-Ph-Ph
1 H H
H
H
H
140-143
453 (CH3)2N
2.4-Cl2-
Ph 1 H H
H
H
H
104-107
454 (CH3)2N
4-F-Ph
1 H H
H
H
H
(oil)®
455 (CH3)2N
4-Br-Ph
1 H H
H
H
H
(oil)"
456 (CH3)2N
4-Ph-Ph
1 H H
H
H
H
(oil)°
457 1-imidazoyl
4-F-Ph
1 H H
H
H
H
458 1-imidaroyl 4-F-Ph
2 H H
H
H
H
459 1-imidaroyl
4-F-Ph
3 H H
H
H
H
460 1-imidaroyl
4-F-Ph
4 H H
H
H
H
461 lH-1,2,4-
4-F-Ph
1 H H
H
H
H
triazol-l-yl
462 1H-1,2,4— 4-F-Ph triarol-l-yl
463 1H-1,2,4— 4-F-Ph triarol-l-yl
464 1H-1,2,4- 4-F-Ph triazol-l-yl
465 1H-1,2,4— 2,4-Cl2-Ph 1 H H H triazol-l-yl
466 1H-1,2,4- 2,4-Cl2-Ph 2 H H H H triazol-l-yl
2 H H H H H
3 H H H H H
4 H H H H H H H
H 44
234 84 1
4m^r::
■-5:• ■"■•^•■■*mii*.*»,*.' .... I
234 84 1
G 10
45
Table 1 (Continued)
EX- 12 3 4
Wo. A B n R R* R R R M.P.-C
467 1-imidazoyl
2,4-Cl2-Ph 1 H H
H
H
H
468 1-piperidyl
Ph
1 H H
H
H
H
469 1-piperidyl
2-F-Ph
1 H H
H
H
H
4 70 1-piperidyl
4-F-Ph
1 H H
H
H
H
471 1-piperidyl
2.4-F2-Ph
1 H H
H
H
H
472 1-piperidyl
2-Cl-Ph
1 H H
H
H
H
473 1-piperidyl
4-Cl-Ph
1 H H
H
H
H
474 1-piperidyl
2,4-Cl2-Ph
1 H H
H
H
H
475 2,6-(CH3)2~l-inorpholinyl
Ph
1 H H
H
H
H
476 2,6-(CH3)2-l-morpholinyl
2-F-Ph
1 H H
H
H
H
477 2,6-(CH3)2-l-morpholinyl
4-F-Ph
1 H H
H
H
H
478 2,6-(CH3)2-l-morpholinyl
2,4-F2-Ph
1 H H
H
H
H
479 2,6-(CH3)2-l-jnorpholinyl
2-Cl-Ph
1 H H
H
H
H
480 2,6-(CH3)2-l-niorpholinyl
4-Cl-Ph
1 H H
H
H
H
481 2,6-(CH3)2-l-xnorpholinyl
2,4-Cl2-Ph
1 H H
H
H
K
482 4-CH^-l-piperazinyl
Ph
1 H H
H
H
H
483 4-CH3~l-piperazinyl
2-F-Ph
1HH
H
H
H
484 4-CH^-l-piperazinyl
4-F-Ph
1 H H
H
H
H
485 4-CH3-l-piperazinyl
2,4-F2-Ph
1 H H
H
H
H
486 4-CH^-l-piperazinyl
2-Cl-Ph
1 H H
H
H
H
487 4-CH^-l-piperazinyl
4-Cl-Ph
1 H H
H
H
H
488 4-CH3~l-piperazinyl
2.4-Cl2-Ph
1 H H
H
H
H
489 4-n-Bu-l-piperazinyl
Ph
1 H H
H
H
H
490 4-n-Bu-l-piperazinyl
2-F-Ph
1 H H
H
H
H
45
,,r ---- - - • ~~*Kn,4>*t*%G$$]!pr.
,-. -;:'.. ^MrTfnVY'r*1 vn..i.ftMmM».. wjfcww" •— vt. ..• -
234 84 1
46
Table 1 (Continued)
C
Ho. A
B
n
R R1 R'
2 R3 R4 M.P.*C
491 4-n-Bu-l-piperazinyl
4-F-Ph
1
H H
H
H
H
492 4-n-Bu-l-piperazinyl
2,4-F2-Ph
1
H H
H
H
H
493 4-n-Bu-l-piperazinyl
2-Cl-Ph
1
H H
H
H
H
494 4-n-Bu-l-piperazinyl
4-Cl-Ph
1
H H
H
H
H
495 4-n-Bu-l-piperazinyl
2,4-Cl2-Ph i 1
H H
H
H
H
496 4-acetyl-l-piperazinyl
Ph
1
H H
H
H
H
497 4-acetyl-l-piperazinyl
2-F-Ph
1
H H
H
H
H
498 4-acetyl-l-piperazinyl
4-F-Ph
1
H H
H
H
H
499 4-acetyl-l-piperazinyl
2,4-F2-Ph
1
H H
H
H
H
500 4-acetyl-l-piperazinyl
2-Cl-Ph
1
K H
H
H
H
501 4-acetyl-l-piperazinyl
4-Cl-Ph
1
H H
H
H
H
502 4-acetyl-l-piperazinyl
2,4-Cl2-Ph
1
H H
H
H
H
503 2-(2-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
504 2-(3-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
505 2-(4-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
506 3-(2-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
507 3-(3-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
508 3-(4-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
509 4-(2-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
510 4-(3-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
511 4-(4-pyridyl)-Ph
4-F-Ph
0
H H
H
H
H
512 2-(lH-l,2,4-triazol-l-yl)-
■Ph
4-F-Ph
0
H H
H
H
H
513 3-(lH-l,2,4-triazol-l-yl)-
•Ph
4-F-Ph
0
H H
H
H
H
514 4-(lH-l,2,4-triazol-l-yl)-
Ph
4-F-Ph
0
H H
H
H
H
515 2-(imidazol-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
516 3-(imidazol-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
517 4-(imidazol-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
518 2-(4-methylpiperazin-l-yl)
-Ph
4-F-Ph
0
H H
H
K
H
46
234841
47
Table 1 (Continued)
EX" 12 3 4
No. A B n R R R R R H.P.'C
519 3-(4-methylpiperazin-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
520 4-(4-methylpiperazin-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
521 2-(4-acetylpiperazin-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
522 3-(4-acetylpiperazin-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
523 4-(4-acetylpiperazin-l-yl)-Ph
4-F-Ph
0
H H
H
H
H
524 2-(2-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
525 2-(3-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
526 2-(4-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
527 3-(2-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
K
H
528 3-(3-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
529 3-(4-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
530 4-(2-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
531 4-(3-pyridyl)-Ph
2,4-F2-Ph
0
H H
K
H
H
532 4-(4-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
533 2-(lH-l,2,4-triazol-l-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
534 3-(1H-1,2,4-triazol-l-yl)-Ph
2.4-F2-Ph
0
H H
H
H
H
535 4-(lH-l,2,4-triazol-l-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
536 2-(imidazol-l-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
537 3-(imidazol-l-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
538 4-(imidazol-l-yl)-Ph
2.4-F2-Ph
0
H H
H
H
H
539 2-(4-methylpiperazin-2-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
540 3-(4-methylpiperazin-2-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
541 4-(4-methylpiperazin-2-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
■
of o
n\
w
4y&
W
234 84 1
48
Table 1 (Continued)
Ex. Wo.
n R £ r! R? r1 M.P.-c
542 2-(4-acetylpiperazin-l-yl)-Ph 2,4-F2~Ph
0
H H
H
K
H
543 3-(4-acetylpiperazin-l-yl)-Ph 2,4-F2~Ph
0
H H
H
H
H
544 4-(4-acetylpiperazin-l-yl)-Ph 2,4-F2~Ph
0
H H
H
H
H
545 2-Cl-3-(3-pyridyl)-Ph
2,4-F2-Ph
0
H H
H
H
H
546 2-(2-pyridyl)-Ph
4-Cl-Ph
0
K H
H
H
H
547 2-(3-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
548 2-(4-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
549 3-(2-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
550 3-(3-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
551 3-(4-pyridyl)-Ph
4-Cl-Ph
0
K H
H
H
H
552 4-(2-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
553 4-(3-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
554 4-(4-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
555 2-(lH-l,2,4-triazol-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
556 3-(lH-l,2,4-triazol-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
557 4-(lH-l,2,4-triazol-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
558 2-(imidazol-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
559 3-(imidazol-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
560 4-(imidazol-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
561 2-(4-methylpiperazin-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
562 3-(4-methylpiperazin-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
563 4-(4-me thylp iperaz in-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
564 2-(4-acetylpiperazin-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
565 3-(4-acetylpiperazin-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
566 4-(4-acetylpiperazin-l-yl)-Ph
4-Cl-Ph
0
H H
H
H
H
567 2-Cl-3-(3-pyridyl)-Ph
4-Cl-Ph
0
H H
H
H
H
568 2-(2-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
569 2-(3-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
570 2-(4-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
48
. w—i, ji u .smiM»B8gBgiMg«frjaa^^ ;£$..-..
!'
n
234 84 1
H) 10
i 15
49
Table 1 (Continued)
No^. A B n R R1 R2 R3 R4 M.P.'C
571 3-(2-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
572 3-(3-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
573 3-(4-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
574 4-(2-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
575 4-(3-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
576 4-(4-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
577 2-(lH-l,2,4-triazol-l-yl)-
-Ph
2,4-Cl2-Ph
0
H H
H
H
H
578 3-(lH-l,2,4-triazol-l-yl)-
■Ph
2,4-Cl2-Ph
0
H H
H
H
H
579 4-(lH-l,2,4-triazol-l-yl)-
•Ph
2.4-Cl2-Ph
0
H H
H
H
H
580 2-(imidazol-l-yl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
581 3-(imidazol-l-yl)-Ph
2.4-Cl2-Ph
0
H H
H
H
H
582 4-(imidazol-l-yl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
583 2-(4-methylpiperazin-l-yl)
-Ph
2,4-Clj-Ph
0
H H
H
H
H
584 3-(4-methylpiperazin-l-yl)
-Ph
2,4-Cl2-Ph
0
H H
H
H
H
585 4-(4-methylpiperazin-l-yl)
-Ph
2,4-Cl2-Ph
0
H H
H
H
H
586 2-(4-acetylpiperazin-l-yl)'
-Ph
2,4-Cl2-Ph
0
H H
H
H
H
587 3-(4-acetylpiperazin-l-yl)'
-Ph
2,4-Cl2-Ph
0
H H
H
H
H
588 4-(4-acetylpiperazin-l-yl)-
-Ph
2,4-Cl2-Ph
0
H H
H
H
H
589 2-Cl-3-(3-pyridyl)-Ph
2,4-Cl2-Ph
0
H H
H
H
H
590 3-(morpholin-l-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
591 3-(2,6-dimethy1-morpholin-l-yl)-Ph
2,4-F2-Ph
0
H H
H
H
H
592 4-(n-butyl-piperazin-l-yl)-
-Ph
2,4-F2-Ph
0
H H
H
H
H
593 4-(piperidin-l-yl)-Ph
2,4-F -Ph
0
H H
H
H
H
49
SJWww®8KS^,sa^^«-W£;i;,;?x^
■K ^
234 84 1
w&
50
Table 1 (Continued)
O
Ex.
is
No.
A
B
n R R
i R
I *1
M.P.-C
594 Ph
2-F-Ph
0 H H
H
H
H
(oil)P
(HCl salt
190-195) |
595 Ph
3-F-Ph
0 H H
H
H
H
596 Ph
2-Cl-Ph
0 H H
H
H
H
78-80 |
597 Ph
3-Cl-Ph
0 H H
H
H
H
|
598 Ph
4-Br-Ph
0 H H
H
H
H
92-95 i i
599 Ph
4-I-Ph
0 H H
H
H
H
1
600 Ph
3,4-F2-Ph
0 H H
H
H
H
i
601 Ph
3,4-Cl2-Ph
0 H H
H
H
H
i
602 Ph
2,6-Cl2-Ph
0 H H
H
H
H
,
603 Ph
3,5-Cl2-Ph
0 H H
H
H
H
142-144
604 Ph
2-Cl-(4-F)-Ph
0 H H
H
H
K
605 Ph
3-Cl-(4-F)-Ph
0 H H
H
H
H
119-124 (dec.)
606 Ph
2,4,6-Cl3-Ph
0 H H
H
H
H
607 Ph
2-F-(4-C1)-Ph
0 H H
H
H
H
608 Ph
Ph
0 H H
H
H
H
130-133
609 Ph
4-CH3-Ph
0 H H
H
H
H
j
■
610 Ph
3-CH3-Ph
0 H H
H
H
H
611 Ph
2-CH3-Ph
0 H H
H
H
H
160.5-163
612 Ph
2-CF3-Ph
0 H H
H
H
H
613 Ph
3-CF3-Ph
0 H H
H
H
H
614 Ph
2-Cl-3-thienyl 0 H H
H
H
H
615 Ph
2-F-(4-CF3)-Ph
0 H H
H
H
H
50
1
i O
J
234 84 1
51
Table 1 (Continued)
i
Ex.
Wo. A B n R R^ R^ R^ R^ H.P."C
616 Ph 4-CH30-Ph 0 H H H H H
617 Ph 5-Cl-2-pyridyl 0 H H H H H
618 Ph 5-Cl-2-thienyl 0 H H H H H 88-90
619 Ph -~C4H9 0 H H H H H
1Q 620 2-Cl-Ph 2-F-Ph 0 H H H H H 118-119
621 2-Cl-Ph 3-F-Ph 0 H H H H H
622 2-Cl-Ph 2-Cl-Ph 0 H H H H H 149-150
623 2-Cl-Ph 3-Cl-Ph 0 H H H H H
624 2-Cl-Ph 4-Br-Ph 0 H H H H H 151-152
625 2-Cl-Ph 4-I-Ph 0 H H H H H
626 2-Cl-Ph 3,4-F2-Ph 0 H H H H H
627 2-Cl-Ph 3,4-Cl2-Ph 0 H H H H H 122-123.5
628 2-Cl-Ph 2,6-Cl2-Ph 0 H H H H H
629 2-Cl-Ph 2-C1-(4-F)-Ph 0 H H H H H
630 2-Cl-Ph 2,4,6-Cl^-Ph 0 H H H H H
631 2-Cl-Ph 2-F-(4-Cl)-Ph 0 H H H H H
632 2-Cl-Ph Ph 0 H H H H H
633 2-Cl-Ph 4-CH^-Ph 0 H H H H H
634 2-Cl-Ph 3-CH3-Ph 0 H H H H H
635 2-Cl-Ph 2-CH3-Ph 0 H H H H H
636 2-Cl-Ph 2-CF3-Ph 0 H H H H H
637 2-Cl-Ph 3-CF3-Ph 0 H H H H H
638 2-Cl-Ph 2-F-(4-CF3)-Ph 0 H H H H H
639 2-Cl-Ph 4-CH30-Ph 0 H H H H H
640 2-Cl-Ph 5-Cl-2-pyridyl 0 H H H H H
51
-
csiftr:
2 3 4 8 4 1
52
Table 1
(Continued)
EX. Ho.
A
B
n
R
R!
si si s!
H.P.-C
641
2-Cl-Ph
-Cl-2-thienyl
0
H
H
H
H
H
642
2-Cl-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
643
2-Cl-Ph
£-C4H9
0
H
H
H
H
H
644
4-F-Ph
2-F-Ph
0
H
H
H
H
H
96-97
645
4-F-Ph
3-F-Ph
0
H
H
H
H
H
646
4-F-Ph
2-Cl-Ph
0
H
H
H
K
H
116-119
647
4-F-Ph
3-Cl-Ph
0
H
H
H
K
H
648
4-F-Ph
4-Br-Ph
0
H
H
H
H
H
114-116
649
4-F-Ph
4-I-Ph
0
H
H
H
H
H
650
4-F-Ph
3,4-F2-Ph
0
H
H
H
H
H
651
4-F-Ph
3,4-Cl2-Ph
0
H
H
H
H
H
98-99
652
4-F-Ph
2,6-Cl2-Ph
0
H
H
H
H
H
653
4-F-Ph
2-Cl-(4-F)-Ph
0
H
H
H
H
H
654
4-F-Ph
2,4,6-Cl3-Ph
0
H
H
H
H
H
655
4-F-Ph
2-F-(4-C1)-Ph
0
H
H
H
H
H
656
4-F-Ph
Ph
0
H
H
H
H
H
124-125
657
4-F-Ph
4-Ph-Ph
0
H
H
H
H
H
116-119
658 4-F-Ph 4-CH3-Ph 0 H H H H H
659 4-F-Ph 2-CH3-Ph 0 H H H H H
660 4-F-Ph 2-CF3-Ph 0 H H H H H
661 4-F-Ph 3-CF -Ph 0 H H H H H
3
662 4-F-Ph 2-F-(4-CF3)-Ph 0 H H H H H
663 4-F-Ph 4-CH30-Ph 0 H H H H H
664
4-F-Ph
-Cl-2-pyridyl
0
H
H
H
H
H
665
4-F-Ph
-Cl-2-thienyl
0
H
H
H
H
H
666
4-F-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
145-147 145-149
121-122
112-114 114-115
52
msmm
. J'."?"? 1>./,IL£S-.VV.» .. .
234 84 1
53
/O.
o
Table 1
(Continued)
Ex.
Mo. A
B
n
R
R1
si si s!
M.P.-C
667 4-F-Ph i-C3H7
0
H
H
K
H
H
74-75
668 4-F-Ph
C2H5
0
H
H
H
H
H
(oil)q
669 4-Cl-Ph
2-F-Ph
0
H
H
H
H
H
130-131
670 4-Cl-Ph
3-F-Ph
0
H
H
H
H
H
671 4-Cl-Ph
2-Cl-Ph
0
H
H
H
H
H
137-139
672 4-Cl-Ph
3-Cl-Ph
0
H
H
H
H
H
673 4-Cl-Ph
4-Br-Ph
0
H
H
H
H
H
121-123
674 4-Cl-Ph
4-I-Ph
0
H
H
H
H
H
675 4-Cl-Ph
3,4-Cl2-Ph
0
H
H
K
H
H
107-198
676 4-Cl-Ph
2,6-Cl2-Ph
0
H
H
H
H
H
677 4-Cl-Ph
2-Cl-(4-F)-Ph
0
H
H
H
H
H
678 4-Cl-Ph
2,4,6-Cl3-Ph
0
H
H
H
H
H
679 4-Cl-Ph
2-F-(4-Cl)-Ph
0
H
H
H
H
H
680 4-Cl-Ph
Ph
0
H
H
H
H
H
681 4-Cl-Ph
4-CH3-Ph
0
H
H
H
H
H
682 4-Cl-Ph
3-CH3-Ph
0
H
H
H
H
H
683 4-Cl-Ph
2-CH3-Ph
0
H
H
H
H
H
684 4-Cl-Ph
2-CF3-Ph
0
H
H
K
H
H
685 4-Cl-Ph
3-CF3-Ph
0
H
H
H
H
H
103-104
686 4-Cl-Ph
2-F-(4-CF3)-Ph
0
H
H
H
H
H
687 4-Cl-Ph
4-CH30-Ph
0
H
H
H
H
H
688 4-Cl-Ph
-Cl-2-pyridyl
0
H
H
H
H
H
689 4-Cl-Ph
-Cl-2-thienyl
0
H
H
H
H
H
690 4-Cl-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
53
54
Table 1 (Continued)
234 84 1
Ex.
No.
n
Q
691 4-Cl-Ph
692 4-F-Ph
693 4-F-Ph 10 694 4-F-Ph
695 4-F-Ph
696 4-F-Ph
697 4-F-Ph 15 698 4-F-Ph
699 4-F-Ph
700 4-F-Ph
701 4-F-Ph
702 4-F-Ph 20 703 4-F-Ph
704 4-F-Ph
705 4-F-Ph
706 4-C2H5-Ph
707 4-(n-Bu0)-Ph
708 2-CH3S02-imidazol-l-yl
709 5-CH3-l,2,4-30 triazol-l-yl
710 "C6F13
711 "C8F17
—-C4H9
X
C6H4-4F
Jb-butyl n-hexyl n-heptyl n R R1 R2 R3 R* M.P.'C
O H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
2,4-(CH3)2-Ph 0 H H H H H 148-149
-C F 6 13
-C F 8 17
4-pyridyl
2-pyridyl
2-thienyl
4-n-Bu-Ph
4-n-BuO-Ph
0 H H H H H
0 H H H H H
0 H H H H H 175-178
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
-CF -pyrid- 0 H H H H H 2-yl
-HeS02-2-
thienyl
4-F-Ph
4-F-Ph 4-F-Ph
4-F-Ph
4-F-Ph 4-F-Ph
712 2-C1-3-(3-pyridyl)-Ph 4-F-Ph
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
O H H H H H
O H H H H H
O H H H H H
0 H H H H H
54
234 84 1
55
Table 1 (Continued)
Ex.
o o
Ho. A
B
n R R 0 H H
is
ill
H.P.-C
713 Z-CF^-imidazol-l-yl
4-F-Ph
H
H
H
714 4-(i-PrO)-Ph
4-F-Ph
0 H H
H
H
H
715 4-I-Ph
4-F-Ph
0 H H
H
H
H
716 3,4-F2-Ph
4-F-Ph
0 H H
H
H
K
717 3,4-Cl2-Ph
4-F-Ph
0 H H
H
H
H
718 2,6-Cl2-Ph
4-F-Ph
0 H H
H
H
H
719 2-Cl-(4-F)-Ph
4-F-Ph
0 H H
H
H
H
720 2,4,6-Cl3-Ph
4-F-Ph
0 H H
H
H
H
721 4-CH3-Ph
4-F-Ph
0 H H
H
H
H
119-120
722 3-CH3-Ph
4-F-Ph
0 H H
H
H
H
723 2-CH^-Ph
4-F-Ph
0 H H
H
H
H
724 2-CF3-Ph
4-F-Ph
0 H H
H
H
H
110-112
725 3-CF3-Ph
4-F-Ph
0 H H
H
H
H
106-108
726 4-CH30-Ph
4-F-Ph
0 H H
H
H
H
109-111
727 2,3-Cl2-Ph
4-F-Ph
0 H H
H
H
H
728 3,5-Cl2-Ph
4-F-Ph
0 H H
H
H
H
729 2,5-Cl2-Ph
4-F-Ph
0 H H
H
H
H
730 3-Br-Ph
4-F-Ph
0 H H
H
H
H
731 4-Et0-Ph
4-F-Ph
0 H H
H
H
H
732 2,4-(CH3)2-Ph
4-F-Ph
0 H H
H
H
H
733 2,4,6-(CH3)3-Ph
4-F-Ph
0 H H
H
H
H
734 4-Ph-Ph
4-F-Ph
0 H H
H
H
H
735 5-Cl-2-thienyl
4-F-Ph
0 H H
H
H
H
736 2-Cl-3-thienyl
4-F-Ph
0 H H
H
H
H
jM;SKS;a'5a«ss5ss®a»
55
234 84 1
56
Table 1 (Continued)
G
r>.
V - •'; <
No. A
B
n E £
is
2
_ R_
ial
737 1-imidaroyl
4-F-Ph
0 H H
H
H
H
738 1H-1,2,4-triazoyl
4-F-Ph
0 H H
H
H
H
739 2-pyridyl
4-F-Ph
0 H H
H
H
H
740 5-Cl-pyrid-2-yl
4-F-Ph
0 H H
H
H
H
741 3-pyridyl
4-F-Ph
0 H H
H
H
H
742 4-pyridyl
4-F-Ph
0 H H
H
H
H
743 n-C.F,. - 4 9
4-F-Ph
0 H H
H
H
H
744 4-I-Ph
2,4-Cl2-Ph
0 H H
H
H
H
745 3,4-F2-Ph
2,4-Cl2-Ph
0 H H
H
H
H
746 3,4-Cl2-Ph
2,4-Cl2-Ph
0 H H
H
H
H
747 2,6-Cl2-Ph
2,4-Cl2-Ph
0 H H
H
H
H
748 2-Cl-(4-F)-Ph
2,4-Cl2-Ph
0 H H
H
H
H
749 2,4,6-Cl3-Ph
2.4-Cl2-Ph
0 H H
H
H
H
750 4-CH3-Ph
2,4-Cl2-Ph
0 H H
H
H
H
751 3-CH3-Ph
2,4-Cl2-Ph
0 H H
H
H
H
752 2-CH3-Ph
2,4-Cl2-Ph
0 H H
H
H
H
753 2-CF3-Ph
2,4-Cl2-Ph
0 H H
H
H
H
754 3-CF3-Ph
2,4-Cl2-Ph
0 H H
H
H
H
755 4-CH30-Ph
2,4-Cl2-Ph
0 H H
H
H
H
756 2,3-Cl2-Ph
2,4-Cl2-Ph
0 H H
H
H
H
757 3,5-Cl2-Ph
2,4-Cl2-Ph
0 H H
H
H
H
758 2,5-Cl2-Ph
2,4-Cl2-Ph
0 H H
H
H
H
759 3-Br-Ph
2,4-Cl2-Ph
0 H H
H
H
H
760 4-EtO-Ph
2.4-Cl2-Ph
0 H H
H
H
H
56
234841
n
&
57
Table 1 (Continued)
C.X.
No. A
B
n E K
ii
2
_ K
is:
761 2,4-(CH3)2-Ph
2,4-Cl2
-Ph 0 H H
H
H
K
762 2,4,6-(CH3)3-Ph
2,4-Cl2.
-Ph 0 H H
H
H
H
763 4-Ph-Ph
2,4-Cl^
-Ph 0 H H
H
H
H
764 5-Cl-2-thienyl
2,4-Cl2-
-Ph 0 H H
H
H
H
765 2-Cl-3-thienyl
2.4-Cl2-
-Ph 0 H H
H
H
H
766 1-imidaxoyl
2.4-Cl2-
-Ph 0 H H
H
H
H
767 1H-1,2,4-triazoyl-
-1-yl 2.4-ci2-
-Ph 0 H H
h h
h
768 2-pyridyl
2.4-Cl2-
-Ph 0 H H
h h
h
769 5-Cl-pyrid-2-yl
2,4-Cl2-
-Ph 0 H H
h h
h
770 3-pyridyl
2.4-Cl2-
■Ph 0 H H
h h
h
771 4-pyridyl
2,4-Cl2-
■Ph 0 H H
h h
h
772 s-C4F9
2,4-Cl2-
Ph 0 H H
h h
h
773 4-I-Ph
4-Cl-Ph
0 H H
H
H
H
774 3,4-F2-Ph
4-Cl-Ph
0 H H
H
H
H
775 3,4-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
776 2,6-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
777 2-C1-(4-F)-Ph
4-Cl-Ph
0 H H
H
H
H
778 2,4,6-Cl3-Ph
4-Cl-Ph
0 H H
H
H
H
779 4-CH3-Ph
4-Cl-Ph
0 H H
H
H
H
780 3-CH3-Ph
4-Cl-Ph
0 H H
H
H
H
781 2-CH3-Ph
4-Cl-Ph
0 H H
H
H
H
782 2-CF3-Ph
4-Cl-Ph
0 H H
H
H
H
783 3-CF -Ph
4-Cl-Ph
0 H H
H
H
H
57
234 84 1
58
Table 1 (Continued)
Ex.
Mo.
n R R1 R2 R3 R4 M.P.-C
n.
V„C
784 4-CH30-Ph
4-Cl-Ph
0 H H
H
H
H
785 2,3-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
786 3,5-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
787 2,5-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
788 3-Br-Ph
4-Cl-Ph
0 H H
H
H
H
789 4-EtO-Ph
4-Cl-Ph
0 H H
H
H
H
790 2,4-(CH3)2-Ph
4-Cl-Ph
0 H H
H
H
H
791 2.4,6-(CH3)3-Ph
4-Cl-Ph
0 H H
H
H
H
792 4-Ph-Ph
4-Cl-Ph
0 H H
H
H
H
793 5-Cl-2-thienyl
4-Cl-Ph
0 H H
H
H
H
794 2-Cl-3-thienyl
4-Cl-Ph
0 H H
H
H
H
795 1-iroidazoyl
4-Cl-Ph
0 H H
H
H
H
796 1H-1,2,4-triazoy1-
-1-yl 4-Cl-Ph
0 H H
H
H
H
797 2-pyridyl
4-Cl-Ph
0 H H
H
H
H
798 5-Cl-pyrid-2-yl
4-Cl-Fh
0 H H
H
H
H
799 3-pyridyl
4-Cl-Ph
0 H H
H
H
H
800 4-pyridyl
4-Cl-Ph
0 H H
H
H
H
801 n-C.F. - 4 9
4-Cl-Ph
0 H H
H
H
H
802 4-I-Ph
2,4-F2-Ph
0 H H
H
H
H
803 3,4-F2-Ph
2,4-F2-Ph
0 H H
H
H
H
804 3,4-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
H
805 2,6-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
H
806 2-Cl-(4-F)-Ph
2,4-F2-Ph
0 H H
H
H
H
807 2,4,6-Cl3-Ph
2,4-F2-Ph
0 H H
H
H
H
808 4-CH3-Ph
2,4-F2-Ph
0 H H
H
H
H
129-130.5
58
a™
234 84 1
59
Table 1 (Continued)
o
Ex.
Ko. A
1 2 3 4 n R R R R R M.P.*C
809 3-CH3-Ph
2,4-F2-Ph
0 H H
H
H
H
810 2-CH^-Ph
2,4-F2-Ph
0 H H
H
H
H
811 2-CF3-Ph
2,4-F2-Ph
0 H K
H
H
H
812 3-CF3-Ph
2,4-F2-Ph
0 H H
H
H
H
813 4-CH.jO-Ph
2,4-F2-Ph
0 H H
H
H
H
814 2,3-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
H
815 3,5-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
H
816 2,5-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
H
817 3-Br-Ph
2,4-F2-Ph
0 H H
H
H
H
818 4-EtO-Ph
2,4-F2-Ph
0 H H
H
H
H
819 2,4-(CH3)2-Ph
2,4-F2-Ph
0 H H
H
H
H
820 2,4,6-(CH3)3-Ph
2,4-F2-Ph
0 H H
K
H
H
821 4-Ph-Ph
2.4-F2-Ph
0 H H
H
H
H
822 5-Cl-2-thienyl
2.4-F2-Ph
0 H H
H
H
H
823 2-Cl-3-thienyl
2,4-F2-Ph
0 H H
H
H
H
824 1-imidazoyl
2,4-F2-Ph
0 H H
H
H
H
825 1H-1,2,4-triazoyl-l-yl
2,4-F2-Ph
0 H H
H
H
H
826 2-pyridyl
2,4-F2-Ph
0 H H
H
H
H
827 5-Cl-pyrid-2-yl
2,4-F2-Ph
0 H H
H
H
H
828 3-pyridyl
2,4-F2-Ph
0 H H
H
H
H
829 4-pyridyl
2,4-F2-Ph
0 H H
H
H
H
830 n-C.F„ ~ 4 9
2,4-F2-Ph
0 H H
H
H
H
59
60
Table 1 (Continued)
C
*53)
Ex. Ko.
A
B
USE.1
0 H H
R?
' 3
; R:
i i
. R
831
2-F-Ph
4-Br-Ph
H
H
H
832
3-F-Ph
4-Br-Ph
0 H H
H
H
H
833
3-Cl-Ph
4-Br-Ph
0 H H
H
H
H
834
4-Br-Ph
4-Br-Ph
0 H H
H
H
H
835
2,4-F2-Ph
4-Br-Ph
0 H H
H
H
H
836
2,4-Cl2-Ph
4-Br-Ph
0 H H
H
H
H
837
2-CF3-Ph
4-Br-Ph
0 H H
H
H
H
838
3-CF^-Ph
4-Br-Ph
0 H H
H
H
H
839
4—CF -Ph
4-Br-Ph
0 H H
H
H
H
3
840
2-F-Ph
4-I-Ph
0 H H
H
H
H
841
3-F-Ph
4-I-Ph
0 H H
H
H
H
842
3-Cl-Ph
4-I-Ph
0 H H
H
H
H
843
4-Br-Ph
4-I-Ph
0 H H
H
H
H
844
2,4-F2-Ph
4-I-Ph
0 H H
H
H
H
845
2,4-Cl2-Ph
4-I-Ph
0 H H
H
H
H
846
2-CFj-Ph
4-I-Ph
0 H H
H
H
H
847
3-CF3-Ph
4-I-Ph
0 H H
H
H
H
848
4-CF3-Ph
4-I-Ph
0 h h
H
H
H
849
2-F-Ph
2-CH3-Ph
0 h h
H
H
H
850
3-F-Ph
2-CH3-Ph
0 h h
H
H
H
851
3-Cl-Ph
2-CH3-Ph
0 H H
H
H
H
852
4-Br-Ph
2-CH3-Ph
0 H H
H
H
H
853
2,4-F2-Ph
2-CH3-Ph
0 H H
H
H
H
854
2,4-Cl2-Ph
2-CH3-Ph
0 H H
H
H
H
60
■■1 ■
234 84 1
61
Table 1 (Continued)
O
n
•w--1
Ex.
No.
B
n R R1 R2 R3 R4 H.P.'C
855
2-CF3-Ph
2-CH3-Ph
0
H
H
H
H
H
856
3-CF3-Ph
2-CH3-Ph
0
H
H
H
H
H
857
4-CF3-Ph
2-CH3-Ph
0
H
H
H
H
H
858
4-(4-F-Ph)-Ph
4-F-Ph
0
H
H
H
H
H
859
4-(2-Cl-Ph)-Ph
4-Cl-Ph
0
H
H
H
H
H
860
3-(3-CF -Ph)-Ph
2.4-F -Ph
0
H
H
H
H
H
861 3-(2,4-F2-Ph)-Ph
862 2,4-F2-Ph
863 4-CH3-Ph
864 2-CF3-Ph
865 3-CF3-Ph
866 4-CF3-Ph
867 2-F-Ph
868 3-F-Ph
869 3-Cl-Ph
870 4-Br-Ph
871 2,4-F2-Ph
872 2,4-Cl2-Ph
873 2-CF3-Ph
874 3-CF3-Ph
875 4-CF3-Ph
876 Ph
877 2-F-Ph
2,4-Cl2-Ph
4-CH3-Ph
4-CH3-Ph
4-CH3-Ph
4-CH3-Ph
4-CH3-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
4-CH30-Ph
2-CH30-Ph
2-CH30-Ph
0 H H H H H
0 H H H H H
0 H H H H H 178-181.5
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
61
234 8
62
Table 1 (Continued)
O
Ex.
NO.
878 3-F-Ph
B
2-CH30-Ph
H E ii El M.P.*C 0 H H H H H
o
879 4-F-Ph
880 2,4-F2-Ph
881 2-Cl-Ph
882 3-Cl-Ph
883 4-Cl-Ph
884 2,4-Cl2-Ph
885 4-Br-Ph
886 2-CF3-Ph
887 3-CF3-Ph
888 4-CF3-Ph
889 Ph
890 2-F-Ph
891 3-F-Ph
892 4-F-Ph
893 2,4-F2-Ph
894 2-Cl-Ph
895 3-Cl-Ph
896 4-Cl-Ph
897 2,4-Cl2-Ph
898 4-Br-Ph
899 2-CFj-Ph
2-CH30-Ph
2-CH30-Ph
2-CH30-Ph
2-CH30-Ph
2-CH30-Ph
2-CH^0-Ph
2-CH30-Ph
2-CH30-Ph
2-CH30-Ph
2-CH30-Ph
4-CF30-Ph
4-CF30-Ph
4-CF30-Ph
4—CFjO-Ph
4—CFjO-Ph
4-CF30-Ph
4-CFjO-Ph
4-CFjO-Ph
4-CF30-Ph
4-CFjO-Ph
4-CF30-Ph
0 H H H H H 56-70
138-139.5
(•H C 0 )
v 2 2 4
0 H H H H H
O H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
O H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
62
- r.>:"ry.r:
234 84 1
63
Table 1 (Continued)
n n,
Ex.
Ko.
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
3-CF3-Ph
4-CF3-Ph
2-F-Ph
3-F-Ph
2,4-F2-Ph 3-Cl-Ph
2.4-Cl2-Ph 4-Br-Ph
2-CF3-Ph
3-CF3-Ph
4-CF3-Ph Ph
2-F-Ph
3-F-Ph
4-F-Ph 2,4-F2-Ph
2-Cl-Ph
3-Cl-Ph
4-Cl-Ph
2,4-Cl2-Ph 4-Br-Ph
2-CF3-Ph
B
n R R1 R2 R3 R* M.P.*C
4-CF30-Ph 0 H H H H H 4-CF30-Ph 0 H H H H H 3,4-Cl2-Ph 0 H H H H H 3,4-Cl2-Ph 0 H H H H H 3,4-Cl2-Ph 0 H H H H H 3,4-Cl2-Ph 0 H H H H H 110-111 3,4-Cl2-Ph 0 H H H H H 3,4-Cl2-Ph 0 H H H H H 3,4-Cl2-Ph 0 H H H H H 3.4-Cl2-Ph 0 H H H H H
3.4-Cl2-Ph 0 H H H H H
2.5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph 0 H H H H H 2,5-F2-Ph O H H H H H
63
^rr'r;wX?idtor<w-'
1
1
i
<
O
o w
234 84 1
64
Table 1 (Continued)
Ex.
Ko.
A
B
n H R
is
2
_ R
is!
922
3-CF3-Ph
2,5-F2-Ph
0 H H
H
H
H
923
4-CF3-Ph
2,5-F2-Ph
0 H H
H
H
H
924
Ph
2,5-Cl2-Ph
0 H H
H
H
H
925
2-F-Ph
2,5-Cl2-Ph
0 H H
H
H
H
926
3-F-Ph
2,5-Cl2-Ph
0 H H
H
H
K
927
4-F-Ph
2,5-Cl2-Ph
0 H H
H
H
H
928
2,4-F2-Ph
2,5-Cl2-Ph
0 H H
H
H
H
929
2-Cl-Ph
2,5-Cl2-Ph
0 H H
H
H
H
930
3-Cl-Ph
2,5-Cl2-Ph
0 H H
H
H
H
931
4-Cl-Ph
2,5-Cl2-Ph
0 H H
H
H
H
932
2,4-Cl2-Ph
2,5-Cl2-Ph
0 H H
H
H
H
933
4-Br-Ph
2,5-Cl2-Ph
0 H H
H
H
H
934
2-CF3-Ph
2,5-Cl2-Ph
0 H H
H
H
H
935
3-CF3-Ph
2,5-Cl2-Ph
0 H H
H
H
H
936
4-CF3-Ph
2,5-Cl2-Ph
0 H H
H
H
H
937
Ph
2,4,6-F3-Ph
0 H H
H
H
H
938
2-F-Ph
2,4,6-F3-Ph
0 H H
H
H
H
939
3-F-Ph
2,4,6-F3-Ph
0 H H
H
H
H
940
4-F-Ph
2,4,6-F3-Ph
0 H H
H
H
H
941
2,4-F2-Ph
2,4,6-F3-Ph
0 H H
H
H
H
942
2-Cl-Ph
2.4,6-F3-Ph
0 H H
H
H
H
943
3-Cl-Ph
2,4,6-F3-Ph
0 H H
H
H
H
944
4-Cl-Ph
2,4,6-F3-Ph
0 H H
H
H
H
64
i
2 3 4 8 4 1
65
Table 1 (Continued)
I O
Ex.
Wo.
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
2,4-Cl2-Ph 4-Br-Ph
2-CF3-Ph
3-CFg-Ph
4-CF3-Ph Ph
2-F-Ph
3-F-Ph
4-F-Ph 2.4-F2-Ph
2-Cl-Ph
3-Cl-Ph
4-Cl-Ph
2,4-Cl2-Ph 4-Br-Ph
2-CF3-Ph
3-CF3-Ph
4-CF3-Ph
963
964
965
966
967
2-F-Ph
3-F-Ph 2.4-F2-Ph
3-Cl-Ph 2,4-Cl2-Ph
968 4-Br-Ph
2.4,6-F3-Ph
2.4,6-F3-Ph
2.4,6-F3-Ph
2.4,6-F3-Ph
2,4,6-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2,4,5-F3-Ph
2-Cl-4-F-Ph 2-Cl-4-F-Ph 2-Cl-4-F-Ph
2-Cl-4-F-Ph 2-Cl-4-F-Ph
2-Cl-4-F-Ph
12 3 4 n R R R R R M.P. #C
0 h h h h h
0 h h h h h
0 h h h h h
0 h h h h h o h h h h h
0 h h h h h
0 h h h h h
0 h h h h h
0 h h h h h o h h h h h
0 h h h h h o h h h h h o h h h h h
0 h h h h h o h h h h h
0 h h h h h o h h h h h o h h h h h o h h h h h
0 h h h h h o h h h h h o h h h h h o h h h h h
0 h h h h h
65
©
66
Table 1 (Continued)
.! .
2 34 8 4 1
o
Ex. Ho.
A
B
n R R
1 R
2 r»3 4 R R
969
2-CF3-Ph
2-Cl-4-F-Ph
0 H H
H
H
H
970
3-CF3-Ph
2-Cl-4-F-Ph
0 H H
H
H
H
971
4-CF3-Ph
2-Cl-4-F-Ph
0 H H
H
H
H
972
Ph
4-F-l-naphthyl
0 H H
H
H
H
973
2-F-Ph
1-naphthyl
0 H H
K
H
H
974
3-F-Ph
1-naphthyl
0 H H
H
H
H
975
4-F-Ph
1-naphthyl
0 H H
H
H
H
976
2,4-F2-Ph
1-naphthyl
0 H H
H
H
H
977
2-Cl-Ph
1-naphthyl
0 H H
H
H
H
978
3-Cl-Ph
1-naphthyl
0 H H
H
H
H
979
4-Cl-Ph
1-naphthyl
0 H H
H
H
H
980
2,4-Cl2-Ph
1-naphthyl
0 H H
H
H
H
981
4-Br-Ph
1-naphthyl
0 H H
H
H
H
982
2-CF3-Ph
1-naphthyl
0 H H
H
H
H
983
3-CF3-Ph
1-naphthyl
0 H H
H
H
H
984
4-CF3-Ph
1-naphthyl
0 H H
H
H
H
985
Ph
6-Cl-2-naphthyl 0 H H
H
H
H
986
2-F-Ph
2-naphthyl
0 H H
H
H
H
987
3-F-Ph
2-naphthyl
0 H H
H
H
H
988
4-F-Ph
2-naphthyl
0 H H
H
H
H
989
2,4-F2-Ph
2-naphthyl
0 H H
H
H
H
990
2-Cl-Ph
2-naphthyl
0 H H
H
H
H
991
3-Cl-Ph
2-naphthyl
0 H H
H
H
H
992
4-Cl-Ph
2-naphthyl
0 H H
H
H
H
993
2,4,-Cl2-Ph
2-naphthyl
0 H H
H
H
H
994
4-Br-Ph
2-naphthyl
0 H H
H
H
H
M.P.*C
66
y •■(•m. •• .-lit »-s s-.v
£3 4 84 1
67
Table 1 (Continued)
EX. Ho.
B
o
995 2-CF3-Ph
996 3-CF3-Ph
997 4-CF3-Ph 999 Ph
999 2-F-Ph
1000 3-F-Ph
1001 4-F-Ph
1002 2,4-F2-Ph
1003 2-Cl-Ph
1004 3-Cl-Ph
1005 4-Cl-Ph
1006 2,4-Cl2-Ph
1007 4-Br-Ph
1008 2-CF3-Ph
1009 3-CF3-Ph
1010 4-CF3-Ph
1011 Ph
1012 2-F-Ph
1013 3-F-Ph
1014 4-F-Ph
1015 2,4-F2-Ph
1016 2-Cl-Ph
2-naphthyl 2-naphthyl 2-naphthyl
PhCH2-
PhCH„
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH2-
PhCH(CH3)
PhCH(CH3)
PhCH(CH3)
PhCH(CH3)
PhCH(CH3)
PhCH(CH3)
2 1 l! l! E! H.P.'C
0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H 0 H H H H H
67
**#»
ko 4 8 4 1
V-r''
68
Table 1 (Continued)
Ex.
No. A
B
n R R
Ik
?R
is!
1017 3-Cl-Ph
PhCH(CH3)
0 H H
H
H
H
1018 4-Cl-Ph
PhCH(CH3)
0 H H
H
H
H
1019 2,4-Cl2-Ph
PhCH(CH3)
0 H H
H
H
H
1020 4-Br-Ph
PhCH(CH3)
0 H H
H
H
H
1021 2-CF„-Ph 3
PhCH(CH3)
0 H H
H
H
H
1022 3-CF^-Ph
PhCH(CH3)
0 H H
H
H
H
1023 4-CF -Ph 3
PhCH<CH3)
0 H H
H
H
H
1024 Ph
PhC(CH3)2-
0 H H
H
H
H
1025 2-F-Ph
PhC(CH3)2-
0 H H
H
H
H
1026 3-F-Ph
PhC(CH3)2-
0 H H
H
H
H
1027 4-F-Ph
PhC(CH3)2-
0 H H
H
H
H
1028 2,4-F2-Ph
PhC(CH3)2-
0 H H
H
H
H
1029 2-Cl-Ph
PhC(CH3)2-
0 H H
H
H
H
1030 3-Cl-PH
PhC(CH3)2-
0 H H
H
H
H
1031 4-Cl-Ph
PhC(CH3)2-
0 H H
H
H
H
1032 2,4-Cl2-Ph
PhC(CH3)2-
0 H H
H
H
H
1033 4-Br-Ph
PhC(CH3)2-
0 H H
H
H
K
1034 2-CF3-Ph
PhC(CH3)2-
0 H H
H
H
H
1035 3-CF3-Ph
PhC(CH3)2-
0 H H
H
H
H
1036 4-CF3-Ph
PhC(CH3)2-
0 H H
H
H
H
1037 Ph
4—Cl-PhC(CH3)2-
O H H
H
H
H
1038 2-F-Ph
4-Cl-PhC(CH ) -
O H H
H
H
H
68
'""•'®K4aa;-'
—v,——'.-.v. -
23 4 8 4 1
69
Table 1 (Continued)
Ex.
Ko. A
B
G
O
1039 3-F-Ph 1040 4-F-Ph
1041 2,4-F2-Ph
1042 2-Cl-Ph
1043 3-Cl-Ph
1044 4-Cl-Ph
1045 2,4-Cl2-Ph
1046 4-Br-Ph
104 7 2-CF -Ph 3
4-Cl-PhC(CH3)2-4-Cl-PhC(CH ) -
J 6
4-Cl-PhC(CH3)2-4-Cl-PhC(CH3)2-4-Cl-PhC(CH3)2-4-Cl-PhC(CH3)2-4-Cl-PhC(CH3)2-4-Cl-PhC(CH3)2-4-Cl-PhC(CH3) —
n R R1 R2 R3 R4 M.P.'C
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
O H H H H H
0 H H H H H
0 H H H H H
O H H H H H
1048
3-CF3-Ph
4-Cl-PhC(CH3)2-
0
H
H
H
H
H
1049
4-CF3-Ph
4-Cl-PhC(CH3)2-
0
H
H
H
H
H
1050
Ph
2-thienyl
0
H
H
H
H
H
1051
2-F-Ph
2-thienyl
0
H
H
H
H
H
1052
3-F-Ph
2-thienyl
0
H
H
H
H
K
1053
4-F-Ph
2-thienyl
0
H
H
H
H
H
1054
2,4-F2-Ph
2-thienyl
0
H
H
H
H
H
1055
2-Cl-Ph
2-thienyl
0
H
H
H
H
H
1056
3-Cl-Ph
2-thienyl
0
H
H
H
H
H
1057
4-Cl-Ph
2-thienyl
0
H
H
H
H
H
1058
2,4-Cl2-Ph
2-thienyl
0
H
H
H
H
H
1059
4-Br-Ph
2-thienyl
0
H
H
H
H
H
1060
2-CF3-Ph
2-thienyl
0
H
H
H
K
H
1061
3-CF3-Ph
2-thienyl
0
H
H
H
H
H
1062
4-CF3-Ph
2-thienyl
0
H
H
H
H
H
69
i.
70
Table 1 (Continued)
23 4 8 4 1
Ex.
Ho.
o
1063 Ph
1064 2-F-Ph
1065 3-F-Ph
1066 4-F-Ph 106 7 2,4-F2-Ph
1068 2-Cl-Ph
1069 3-Cl-Ph
1070 4-Cl-Ph
1071 2,4-Cl2-Ph
B
3-thienyl 3-thienyl 3-thienyl 3-thienyl 3-thienyl
3-thienyl
3-thienyl
3-thienyl
3-thienyl
12 3 4 n R R R R R M.P.'C
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
1072
4-Br-Ph
3-thienyl
0
H
H
H
H
H
1073
2—CF^-Ph
3-thienyl
0
H
H
H
H
H
1074
3-CF3-Ph
3-thienyl
0
H
H
H
H
H
1075
4—CF3-Ph
3-thienyl
0
H
H
H
H
H
1076
2-F-Ph
2-Cl-3-thienyl
0
H
H
K
H
H
1077
3-F-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1078
2,4-F2-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1079
3-Cl-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1080
2,4-Cl2-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1081
4-Br-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1082
2-CF3-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1083
3-CF3-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1084
4-CF3-Ph
2-Cl-3-thienyl
0
H
H
H
H
H
1085
2-F-Ph
-Cl-2-thienyl
0
H
H
H
H
H
1086
3-F-Ph
-Cl-2-thienyl
0
H
H
H
H
H
1087
2.4-F2-Ph
-Cl-2-thienyl
0
H
H
H
H
H
70
234 84 1
71
Table 1 (Continued)
*
Ex.
No.
12 3 4
H I L B_ L L M.P.'C
1088 3-Cl-Ph
-Cl-2-thienyl
0 H H
H
H
H
1089 2,4-Cl2-Ph
-C1-2-thienyl
0 H H
H
H
H
1090 4-Br-Ph
-Cl-2-thienyl
0 H H
H
H
H
1091 2-CF3-Ph
-Cl-2-thienyl
0 H H
H
H
H
1092 3-CF -Ph 3
-Cl-2-thienyl
0 H H
H
H
H
1093 4-CF3-Ph
-Cl-2-thienyl
0 H H
H
H
H
1094 Ph
2,5-Cl2-3-thienyl
0 H H
H
H
H
1095 2-F-Ph
2,5-Cl2-3-thienyl
0 H H
H
H
H
1096 3-F-Ph
2,5-Cl2-3—thienyl
0 H H
H
H
H
1097 4-F-Ph
2,5-Cl2-3-thienyl
0 H H
H
H
H
1098 2,4-F2-Ph
2,5-Cl2~3-thienyl
0 H H
H
H
H
1099 2-Cl-Ph
2,5-Cl2~3-thienyl
0 H H
H
H
H
1100 3-Cl-Ph
2,5-Cl2-3-thienyl
0 H H
H
H
H
1101 4-Cl-Ph
2,5-Cl2-3—thienyl
0 H H
H
H
H
1102 2,4-Cl2-Ph
2,5-Cl2~3-thienyl
0 H H
H
H
H
1103 4-Br-Ph
2,5-Cl2~3-thienyl
0 H H
H
H
H
1104 2-CF3-Ph
2,5-Cl2-3-thieny1
0 H H
H
H
H
1105 3-CF3-Ph
2,5-Cl2~3-thienyl
0 H H
H
H
H
1106 4-CF3-Ph
2,5-Cl2-3-thienyl
0 H H
H
H
H
1107 Ph
-bromo-2-thienyl
0 H H
H
H
H
1108 2-F-Ph
-bromo-2-thienyl
0 H H
H
H
H
1109 3-F-Ph
-bromo-2-thienyl
0 H H
H
H
H
1110 4-F-Ph
-bromo-2-thienyl
0 H H
H
H
H
1111 2,4-F2-Ph
-bromo-2-thienyl
0 H H
H
H
H
71
_'. J
234 84 1
72
Table 1 (Continued)
k -»
"8
1
*2
18 c-
1 i i
-•i i
3
o
Ex.
No.
1112 2-Cl-Ph
1113 3-Cl-Ph
1114 4-Cl-Ph
1115 2,4-Cl -Ph
2
1116 4-Br-Ph
1117 2-CF3-Ph
1118 3-CF3-Ph
1119 4-CF3-Ph
1120 Ph
1121 2-F-Ph
1122 3-F-Ph
1123 2,4-F2-Ph
1124 2-Cl-Ph
1125 3-Cl-Ph
1126 4-Cl-Ph
1127 2,4-Cl2-Ph
1128 4-Br-Ph
1129 2-CF3-Ph
1130 3-CFj-Ph
1131 4-CF3-Ph
1132 Ph
1133 2-F-Ph 30 1134 3-F-Ph
1135 4-F-Ph
1136 2,4-F2-Ph
1137 2-Cl-Ph
B
-bromo-2-thienyl 5-bromo-2-thienyl 5-bromo-2-thienyl 5-bromo-2-thienyl
-bromo-2-thienyl 5-bromo-2-thienyl
-bromo-2-thienyl
-bromo-2-thienyl
2-pyridyl 2-pyridyl 2-pyridyl 2-pyridyl
2-pyridyl 2-pyridyl 2-pyridyl 2-pyridyl
2-pyridyl 2-pyridyl
2-pyridyl
2-pyridyl
3-pyridyl 3-pyridyl 3-pyridyl 3-pyridyl 3-pyridyl
3-pyridyl
12 3 4 n R R R R R M.P.'C
0 H H H H H
0 H H H H H
0 H H H K H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
O H H H H H
0 H H H H H
0 H H H H H
O H H H H H
O H H H H H
0 H H H H H
0 H H H H H
O H H H H H
0 H H H H H
O H H H H H
O H H H H H
O H H H H H
O H H H H H
72
*s
U j
V-;^v
*<tteii' tf>'V v/.-"-'' V'--"•'
234 84 1
73
Table 1 (Continued)
o
EX.
No. A
B
n ssl
!■ „2 _3 R R
It
1138 3-Cl-Ph
3-pyridyl
0 H H
H
H
H
1139 4-Cl-Ph
3-pyridyl
0 H H
H
H
H
1140 2,4-Cl2-Ph
3-pyridyl
0 H H
H
H
H
1141 4-Br-Ph
3-pyridyl
0 H H
H
H
H
1142 2-CF^-Ph
3-pyridyl
0 H H
H
H
H
1143 3-CF3-Ph
3-pyridyl
0 H H
H
H
H
1144 4-CF3-Ph
3-pyridyl
0 H H
H
H
H
1145 Ph
4-pyridyl
0 H H
H
H
H
1146 2-F-Ph
4-pyridyl
0 H H
H
H
H
1147 3-F-Ph
4-pyridyl
0 H H
H
H
H
1148 2,4-F2-Ph
4-pyridyl
0 H H
H
H
H
1149 2-Cl-Ph
4-pyridyl
0 H H
H
H
H
1150 3-Cl-Ph
4-pyridyl
0 H H
H
H
H
1151 4-Cl-Ph
4-pyridyl
0 H H
H
H
H
1152 2,4-Cl2-Ph
4-pyridyl
0 H H
H
H
H
1153 4-Br-Ph
4-pyridyl
0 H H
H
H
H
1154 2-CF3-Ph
4-pyridyl
0 H H
H
H
H
1155 3-CF3-Ph
4-pyridyl
0 H H
H
H
H
1156 4-CF3-Ph
4-pyridyl
0 H H
H
H
H
1157 Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1158 2-F-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1159 3-F-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1160 4-F-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1161 2,4-F2-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1162 2-Cl-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1163 3-Cl-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1164 4-Cl-Ph
2-Cl-3-pyridyl
0 H H
K
H
H
1165 2,4-Cl2-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
M.P.*C
73
1
234 84 1
7 4
Table 1 (Continued)
Ex.
No.
B
12 3 4
BlLLLL M.P.*C
1166 4-Br-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1167 2-CF3-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1168 3-CF^-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1169 4-CF3-Ph
2-Cl-3-pyridyl
0 H H
H
H
H
1170 Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1171 2-F-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1172 3-F-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1173 4-F-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1174 2,4-F2-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1175 2-Cl-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1176 3-Cl-Ph
3-Cl-2-pyridyl
0 H H
H
K
H
1177 4-Cl-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1178 2,4-Cl2-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1179 4-Br-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1180 2-CF3-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1181 3-CF3-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1182 4-CF3-Ph
3-Cl-2-pyridyl
0 H H
H
H
H
1183 2-F-Ph
-Cl-2-pyridyl
0 H H
K
H
H
1184 3-F-Ph
-Cl-2-pyridyl
0 H H
H
H
H
1185 2,4-F -Ph
-Cl-2-pyridyl
0 H H
H
H
H
1186 3-Cl-Ph
S-Cl-2-pyridyl
0 H H
H
H
H
1187 2,4-Cl2-Ph
-Cl-2-pyridyl
0 H H
H
H
H
1188 4-Br-Ph
-Cl-2-pyridyl
0 H H
H
H
H
1189 2-CF3-Ph
-Cl-2-pyridyl
0 H H
H
H
H
1190 3-CF3-Ph
-Cl-2-pyridyl
0 H H
H
H
H
1191 4-CF3-Ph
-Cl-2-pyridyl
0 H H
H
H
H
1192 Ph
6-Cl-3-pyridyl
0 H H
H
H
H
74
t11 'f' rrr
234 84 1
75
Table 1 (Continued)
n
Ex.
No.
n R R1 R2 R3 R4 M.P.'C
1193 2-F-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1194 3-F-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1195 4-F-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1196 2,4-F^-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1197 2-Cl-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1198 3-Cl-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1199 4-Cl-Ph
6-Cl-3-pyridyl
0 H H
H
H
K
1200 2,4-Cl2-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1201 4-Br-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1202 2-CF^-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1203 3-CF3-Ph
6-Cl-3-pyridyl
O H H
H
H
H
1204 4-CF3-Ph
6-Cl-3-pyridyl
0 H H
H
H
H
1205 2-thienyl
2-thienyl
0 H H
H
H
H
1206 3-thienyl
2-thienyl
0 H H
H
H
H
1207 2-Cl-3-thienyl
2-thienyl
0 H H
H
H
H
1208 5-Cl-2-thienyl
2-thienyl
0 H H
H
H
H
1209 2,5-Cl2-3-thienyl
2-thienyl
0 H H
H
H
H
1210 2-thienyl
3-thienyl
0 H H
H
H
H
1211 3-thienyl
3-thienyl
0 H H
H
H
H
1212 2-Cl-3-thienyl
3-thienyl
0 H H
H
H
H
1213 5-Cl-2-thienyl
3-thienyl
0 H H
H
H
H
1214 2,5-Cl2-3-thienyl
3-thienyl
0 H H
H
H
H
1215 2-thienyl
2-C1-3-thienyl
0 H H
H
H
H
1216 3-thienyl
2-Cl-3-thienyl
0 H H
H
H
H
1217 2-Cl-3-thienyl
2-Cl-3-thienyl
0 H H
H
H
H
1218 5-C1-2-thienyl
2-C1-3-thienyl
0 H H
H
H
H
1219 2,5-Cl2-3-thienyl
2-Cl-3-thienyl
0 H H
H
H
H
1220 2-thienyl
-C1-3-thienyl
0 H H
H
H
H
75
/jWWMlUuiitlU
-J ^"raw-
76
Table 1 (Continued)
234 8
Ex.
R H.P.'C
w
No.
A
B
n R R1 R'
!B
III
M
1221
3-thienyl
-Cl-3-thienyl
0 H H
H
H
H
1222
2-Cl-3-thienyl
-Cl-3-thienyl
0 H H
H
H
H
1223
-C1-2-thienyl
-Cl-3-thienyl
0 H H
H
H
H
1224
2,5-Cl2-3-
-thienyl
-Cl-3-thienyl
0 H H
H
H
H
1225
2-thienyl
2,5-Cl2-3-thienyl 0 H H
H
H
H
1226
3-thienyl
2,5-Cl2-3-thienyl
0 H H
H
H
H
1227
2-Cl-3-thienyl
2,5-Cl2-3-thienyl 0 H H
H
H
H
1228
-Cl-2-thienyl
2,5-Cl2-3-thienyl
0 H H
H
H
H
1229
2.5-Cl2-3-
thienyl 2,5-Cl2-3-thienyl 0 H H
H
H
H
1230
thienyl
-F-2-thienyl
0 H H
H
H
H
1231 3-pyridyl
-Cl-2-pyridyl
0 H H
H
H
H
1232
-Cl-2-pyridyl
-Cl-2-pyridyl
0 H H
H
H
H
1233 4-pyridyl
-Cl-2-pyridyl
0 H H
H
H
H
1234
2-Cl-3-pyridyl
-Cl-2-pyridyl
0 H H
H
H
H
1235
2-pyridyl
-Cl-2-pyridyl
0 H H
H
H
H
1236
4-F-Ph
4-F-Ph
0 H H
H
°2
:H5
H
1237
4-F-Ph
4-F-Ph
0 H H
H
n-
C3H7
H
1238
4-F-Ph
4-F-Ph
0 H H
H
n-
C4H9
H
1239
4-F-Ph
4-F-Ph
0 H H
H
i-
C3H7
H
1240
4-F-Ph
4-F-Ph
0 K H
H
s_-
C4H9
H
1241
2-Cl-Ph
4-Cl-Ph
0 H H
H
C2
H5
H
1242
2-Cl-Ph
4-Cl-Ph
0 H H
H
n-
C3H7
H
1243
2-Cl-Ph
4-Cl-Ph
0 H H
H
n-
°4H9
H
1244
2-Cl-Ph
4-Cl-Ph
0 H H
H
i-
C3H7
H
1245
2-Cl-Ph
4-Cl-Ph
0 H H
H
£—
C4H9
H
1246
4-Cl-Ph
2.4-Cl2-Ph
0 H H
H
C2
H5
H
76
<d
77
Table 1 (Continued)
^X' 12 3 4
Ho. A B nRR_ R_f R_ H.P.'C
124 7 4-Cl-Ph 2,4-Cl2-Ph 0 H H H n-^Hy H
1248 4-Cl-Ph 2,4-Cl2-Ph 0 H H H n-C^Hg H
1249 4-Cl-Ph 2,4-Cl2-Ph 0 H H H H
(<}; 1250 4-Cl-Ph 2,4-Cl -Ph 0 H H H s-C H H
V_> 2 — 4 9
1251 Ph 4-F-Ph 0 H H H C,Hr K
2 5
1252 Ph 4-F-Ph 0 H H H H
1253 Ph 4-F-Ph 0 H H H n-CAH„ H
- 4 9
1254 Ph 4-F-Ph 0 H H H i-^Hy H
1255 Ph 4-F-Ph 0 H H H s-C^ H
- 4 9
1256 4-F-Ph 4-F-Ph 0 H H H CH3 H
1257 4-F-Ph 4-F-Ph 0 H H H CH3 CH3
1258 4-F-Ph 4-F-Ph 0 H H H F H 166-167
1259 4-F-Ph 4-F-Ph 0 H H H F CH3
1260 4-F-Ph 4-F-Ph O H H H F F 145-147
1261 4-Cl-Ph 2,4-Cl2-Ph O H H H CHg H
1262 4-Cl-Ph 2,4-Cl2-Ph O H H H CH3 CH3
1263 4-Cl-Ph 2,4-Cl2-Ph 0 H H H F H
1264 4-Cl-Ph 2,4-Cl2-Ph 0 H H H F CH3
1265 4-Cl-Ph 2,4-Cl2-Ph O H H H F F
1266 2-Cl-Ph 4-Cl-Ph 0 H H H CH3 H
1267 2-Cl-Ph 4-Cl-Ph 0 H H H CH3 CH3
1268 2-Cl-Ph 4-Cl-Ph O H H H F H
1269 2-Cl-Ph 4-Cl-Ph O H H H F CH3
1270 2-Cl-Ph 4-Cl-Ph 0 H H H F F
o
77
ggSBSSSfcUfi-., W* V^Xr" V
/"■*>
23 4 8 4 1
78
Table 1 (Continued)
Ex. Mo.
A
B
n
R
al s!
R!
£
1271
Ph
4-F-Ph
0
H
H
H
CH3
H
1272
Ph
4-F-Ph
0
H
H
H
CH3
CH3
1273
Ph
4-F-Ph
0
H
H
H
F
H
1274
Ph
4-F-Ph
0
H
H
H
F
CH3
1275
Ph
4-F-Ph
0
H
H
H
F
F
a
NMR:
: (CDCl ) 6 4
.70
(q.
J*14Hz,
2H);
4.90
(s.
IH);
.40 (s
. IH); 5
.55
(s.
IH);
6.8-
(m.
4H);
7.2-7.4
(m.
4H)
. 7.
8 (bs, 2H).
b
NMR:
(CDC13) 6
4.8
(q.
2H),
.2
(s,
1H),
.3
(s,lH), 5.6
(s,
IH),
6.9
-7.6
(m,
8H),
(s.
IH),
8.1 (s,
IH)
M.P.'C
c NMR: (CDCl3) 6 4.70 (q, J-13HZ, 2H); 4.85
(s, IH); 5.35 (s, IH); 5.55 <s, IH); 6.85-7.4 (m, 8H); 7.7 (s, H); 7.9 (s, IH).
d NMR: (CDC13) 6 4.60 (q, J«12Hz, 2H); 5.0 25 (s, IH); 5.40 (s, IH); 5.55 (s, IH); 6.8 (1/2
of ABq, J-lOHz, 2H); 7.00 (m, 2H); 7.3 (1/2 of ABq, J-lOHz, 2H); 7.45 (m, 2H); 7.80 (s, IH); 7.85 (s, IH).
e NMR: (CDC13) 6 4.6, 4.8 (ABq, J=14Hz, 2H);
4.9 (br s, 3H); 5.3 (s, IH); 5.6 (s, IH); 6.8 (d, IH); 7.0 (m, 3H); 7.4 (m, 3H); 7.8 (s, IH); 7.9 (s, IH).
78
79
f NMR: (CDC13) 6 1.3 (s, 9H), 4.7 (q, 2H),
4.6 (s, IH). 5.0 (s, IH), 5.4 (s, IH), 6.8-7.4 (9H), 7.8 (s, IH).
O 5 g NMR: (CDC13> 6 4.7, 4.8 (ABq, J*12Hz, 2H);
6.7-7.5 (m, 14H); 7.9 (s, IH); 8.0 (s, IH).
h NMR: (CDC13) 6 3.45 (s, 3H); 4.75 (ABq,
J-18HZ, 14Hz, 2H); 4.6 (m, 2H); 6.8-7.0 (m, 4H) O 10 7.05-7.25 (m, 4H); 8.0 (s, IH); 8.25 (s, IH).
i NMR: (CDC13) 6 4.0 (dd, 14, 4Hz, IH); 4.3
(dd, 14, 4Hz, IH); 4.6 (d, 13Hz, IH); 4.9 (d, 13Hz, IH); 5.1 (d, IH); 5.3 (d, IH); 5.55 (s, 15 IH); 5.60 (s, IH); 5.85 (m, IH); 6.8-7.0 (m,
4H); 7.05-7.2 (m, 4H); 8.05 (s, IH); 8.25 (s, IH).
j NMR: (CDC13) 6 1.90 (s, 3H); 4.80 (1/2 of 20 ABq, J=14Hz, IH); 5.65 (1/2 of ABq, J»14Hz, IH)
.55 (s, IH); 5.60 (s, IH); 6.75-7.0 (m, 4H); 7.0-7.2 (t, 2H); 7.25-7.4 (m, 2H); 7.35 (s, IH) 7.85 (s, IH).
k NMR: (CDCl3) 6 4.03, 4.11 (ABq, J=llHz,
2H); 4.25 (s, IH, OH); 4.39 (s, IH, OH), 4.54, 4.81 (ABq, J=14Hz, 2H); 5.31, 5.33 (2 sharp s, IH each); 7.25-7.40 (m, 4H); 7.71 (s, IH); 8.03 HI (s, IH).
NMR: (CDC13) 6 2.03 (s, IH, OH); 4.0-4.2 (m, 2H); 4.57, 4.85 (ABq. J=15Hz, 2H); 5.3-5.35 (m, 2H); 5.7-5.9 (broad s, IH, OH); 7.3-7.6 (m, 4H); 7.75 (s, IH); 8.11 (s, IH).
79
- '
234 84 1
©
80
m NMR: (CDCl3) 6 2.10 (s, 6H); 2.52, 3.03
(ABq, J»12Hz, 2H); 4.41, 4.78 (ABq, J-15 Hz,
2H); 5.19 (s, IH); 5.50 (s, IH); 6.9-7.2 (in,
2H); 7.4-7.6 (m, 2H); 7.80 (s, IH); 8.36 (s, IH).
NHR: (CDC13) 6 2.11 (s, 6H); 2.61, 3.11 (ABq, J«12Hz, 2H); 4.50, 4.90 (ABq, J«13Hz, 2H); 5.13 (s, IH); 5.50 (s, IH); 7.50 (s, 4H); 7.86 (s, IH); 8.14 (s, IH).
NHR: (CDC13) 6 2.13 (s, 3H); 2.19 (s, 3H); 2.5-3.1 (in, 2H); 4.44, 4.85 (ABq, J«14Hz, 2H); 5.0-5.5 (m, 2H); 7.3-7.8 (m, 9H); 7.97 (s, IH); 8.32 (s, IH, OH); 8.50 (s, IH).
NMR: (CDC13) 6 4.6 (d, 1/2 of ABq, IH); 4.9 (d, 1/2 of ABq, IH); 5.0 (s, IH); 5.3 (two s, 2H); 6.9-7.6 (m, 9H); 7.8 (two s, 2H).
q NMR: (CDC13) 6 1.0 (t, 3H); 1.2 (s, IH);
1.6 (m, 2H); 4.2 (ABq, 2H); 5.1 (s, IH); 5.4 (s, IH); 6.9-7.1 (m, 4H); 7.9 (s, IH); 8.0 (s, IH).
80
—«««.•«&,
'•-•• ^A" - ' • "*•"•' ' • - --
234 84 1
0
81
Examples 1276 and 1276a: Preparation of the (S)-enantiomer of Example 49
The compound of Example 49 (1.5 g) and 1.5 g of 5 i-a-bromocamphor-u-sulfonic acid was dissolved in 75 ml of acetonitrile and refluxed for 2 hours. The solution was allowed to cool to ambient temperature and stand for 14 hours. Filtration of the resulting solid6 followed by recrystallization from an additional G 10 portion of acetonitrile. yielded 1.28 g of white solid, mp 216-217°; [a]25 - -104° (C - 1; DMSO).
The acetonitrile can be evaporated to yield the adduct having a (+)- rotation (Example 1276a). This 15 compound can be recrystallized from an ether/acetone mixture to yield a solid, that on treatment with aqueous NaHC03 yields material identical by NHR to that of Example 49.
The solid was suspended in 50 ml of saturated 20 NaHCC>3 solution and stirred vigorously until the evolution of gas ceased (1-2 hours). The mixture was extracted twice with 50 ml of CHC13. The organic layers were combined, washed with brine, dried over Na2S04 and the solvent removed jjn vacuo. This yielded 25 750 mg of a white solid (Example 1276) having an 'H NMR identical to that of the compound of Example 49. mp » 82-83°; [a]£5 - -62° (C - 1; CHC13).
These compounds and other compounds which were 30 resolved as described above are shown in Table 2.
81
i . > j., * v —
O
82
Table 2
234841
r>
EX. No.
1276
(1)
1276a
1277(2)
A(CH
CRR1 .
T5 »
B n R R1 R2 R3 R4 M.P.°C [a]25
F-^^- 0 H H H H H 82-83 -62« ^3" F"©- 0 H H H H H 83-84 +60#
F-@" F-^V 0 H H H H H 60-61 -67' ^ (HCl salt
181-184)
1277a
(1).(2)
FF-(^- O H H H H H 60-62 +66° * denotes chiral center
(1) » substitute d-a-bromocamphor-ir-sulfonic acid
(2) = use a 3 parts ether - 1 part acetone mixture as solvent.
Example 1278
Preparation of 2-(4-fluorophenyl)-3-phenyl-l-(5-mercapto-lH-1.2.4-triazol-l-yl)-3-buten-l-ol
To a solution of 1.24 g (0.004 mol) of 2-(4-fluoro-pheny1)-3-pheny1-1-(1H-1.2,4-triazol-l-yl)-3-buten-2-ol in 15 mL of THF at -70° was added 5.2 mL (0.008 mol) of a 1.55 M solution of n-butyllithium in hexanes over 5 minutes. After 30 minutes. 0.13 g (0.004 raol) of sulfur was added and the reaction mixture was
82
0
v~>
•<
J
20
I ?;
I <
*
234 84 1
83
allowed to warm to room temperature over 1 h. then quenched with 8 mL of IN HCl. After pouring into saturated NH.C1, the mixture was extracted with 2 x 4
ether and the combined organic layers were washed with 5 brine, dried over Na2S04 and evaporated. The crude product was purified by flash chromatography using 2:13:85 methanol/ether/methylene chloride to give 0.85 g of the title compound, ra.p. 54-58°: NMR (CDC13) 6 4.7 (ABq. 2H). 5.0 (S. IH. OH). 5.3 (s. 10 IH. vinyl). 5.5 (s. IH. vinyl). 7.0 (ra. 4H). 7.2 (m. 3H). 7.5 (m. 2H). 7.7 (s. IH. triazole proton). 12.5 (brs. IH. SH); IR (methylene chloride) 3500-3000 (br). 1590. 1500. 1465. 1230. 1162. 1109. 825 cm"1; MS: highest m/e 341.
The compounds shown in Table 3 were prepared or can be prepared by the methods described above.
83
m:
©
234
84
Table 3*
X?
I v
Ex. No.
A
B
R R
- I
1 2
SH
1278
Ph
4-F-Ph
H H
H
H
1279
Ph
Ph
H H
H
H
SH
1280
Ph
2-F-Ph
H H
H
H
SH
1281
Ph
2-Cl-Ph
H H
' H
H
SH
1282
Ph
4-Cl-Ph
H H
H
H
SH
1283
Ph
2.4-F2-Ph
H H
H
H
SH
1284
Ph
2.4-Cl2-Ph
H H
H
H
SH
1285
2-F-Ph
Ph
H H
H
H
SH
1286
2-F-Ph
2-F-Ph
H H
H
H
SH
1287
2-F-Ph
4-F-Ph
H H
H
H
SH
1288
2-F-Ph
2-Cl-Ph
H H
H
H
SH
1289
2-F-Ph
4-Cl-Ph
H H
H
H
SH
1290
2-F-Ph
2,4-F2-Ph
H H
H
H
SH
1291
2-F-Ph
2,4-Cl2-Ph
H H
H
H
SH
1292
3-F-Ph
Ph
H H
H
H
SH
1293
3-F-Ph
2-F-Ph
H H
H
H
SH
1294
3-F-Ph
4-F-Ph
H H
H
H
SH
1295
3-F-Ph
2-Cl-Ph
H H
H
H
SH
1296
3-F-Ph
4-Cl-Ph
H H
H
H
SH
1297
3-F-Ph
2,4-F2-Ph
H H
H
H
SH
1298
3-F-Ph
2,4-Cl2-Ph
H H
H
H
SH
1299
4-F-Ph
Ph
H H
H
H
SH
1300
4-F-Ph
2-F-Ph
H H
H
H
SH
1301
4-F-Ph
4-F-Ph
H H
H
H
SH
1302
4-F-Ph
2-Cl-Ph
H H
H
H
SH
54-58
144.5-148
84
23484 1
f
85
n
Table 3 (continued)
Ex. No.
A
B
R R
is
2R4Q
1303
4-F-Ph
4-Cl-Ph
H H
H
H
SH
1304
4-F-Ph
2,4-F2-Ph
H H
H
H
SH
1305
4-F-Ph
2,4-Cl2-Ph
H H
H
H
SH
1306
2-Cl-Ph
Ph
H H
H
H
SH
1307
2-Cl-Ph
2-F-Ph
H H
H
H
SH
1308
2-Cl-Ph
4-F-Ph
H H
H
H
SH
1309
2-Cl-Ph
2-Cl-Ph
K H
H
H
SH
1310
2-Cl-Ph
4-Cl-Ph
H H
H
H
SH
1311
2-Cl-Ph
2,4-F2-Ph
H H
H
H
SH
1312
2-Cl-Ph
2,4-Cl2-Ph
H H
H
H
SH
1313
3-Cl-Ph
Ph
H H
H
H
SH
1314
3-Cl-Ph
2-F-Ph
H H
H
H
SH
1315
3-Cl-Ph
4-F-Ph
H H
H
H
SH
1316
3-Cl-Ph
2-Cl-Ph
H H
H
H
SH
1317
3-Cl-Ph
4-Cl-Ph
H H
H
H
SH
1318
3-Cl-Ph
2,4-F2-Ph
H H
H
H
SH
1319
3-Cl-Ph
2,4-Cl2-Ph
H H
H
H
SH
1320
4-Cl-Ph
Ph
H H
H
H
SH
1321
4-Cl-Ph
2-F-Ph
H H
H
H
SH
1322
4-Cl-Ph
4-F-Ph
K H
H
H
SH
1323
4-Cl-Ph
2-Cl-Ph
H H
H
H
SH
1324
4-Cl-Ph
4-Cl-Ph
H H
H
H
SH
1325
4-Cl-Ph
2,4-F -Ph
H H
H
H
SH
z
1326
4-Cl-Ph
2,4-Cl2-Ph
H H
H
H
SH
1327
2-CF3-Ph
Ph
H H
H
H
SH
1328
2-CF3-Ph
2-F-Ph
H H
H
H
SH
1329
2-CFj-Ph
4-F-Ph
H H
H
H
SH
(foam)
85
o
234841
86
Table 3 (continued)
Ex.
No.
B
1330 2-CF3-Ph
1331 2-CF3-Ph
1332 2-CF3-Ph
1333 2-CF3-Ph
1334 4-CF3-Ph
1335 4-CF3-Ph
1336 4-CF3-Ph
1337 4-CF3-Ph
1338 4-CF3-Ph
1339 4-CF3-Ph
1340 4-CF3-Ph
1341 2,4-F2-Ph
1342 2,4-F2-Ph
1343 2,4-F2-Ph
1344 2,4-F2-Ph
1345 2,4-F2-Fh
1346 2,4-F2-Ph
1347 2,4-F2-Ph
1348 2,4-Cl2-Ph
1349 2.4-Cl2-Ph
1350 2,4-Cl2-Ph
1351 2,4-Cl2-Ph
1352 2,4-Cl2-Ph
2-Cl-Ph
4-Cl-Ph
2,4-F2-Ph
2,4-Cl2-Ph
Ph
2-F-Ph
4-F-Ph
2-Cl-Ph
4-Cl-Ph
2,4-F2-Ph
2,4-Cl2-Ph
Ph
2-F-Ph
4-F-Ph
2-Cl-Ph
4-Cl-Ph
2,4-F2-Ph
2,4-Cl2-Ph
Ph
2-F-Ph 4-F-Ph 2-Cl-Ph 4-Cl-Ph
Bl 5^ ii 2 H.P.-C
H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH H H H H SH
86
234 84 1
87
o
Table 3 (continued)
Ex.
1
*% A
No.
A
B
R R
_ R
R 0
1353
2,4-Cl2
-Ph
2,4-F2-Ph
H H
H
H
SI
1354
2,4-Cl2-
-Ph
2,4-Cl2-Ph
H H
H
H
St
1355
Ph
Ph
H H
H
H
I
1356
Ph
2-F-Ph
H H
H
H
I
1357
Ph
4-F-Ph
H H
H
H
I
1358
Ph
2-Cl-Ph
H H
H
H
I
1359
Ph
4-Cl-Ph
H H
H
H
I
1360
Ph
2,4-F2-Ph
H H
H
H
I
1361
Ph
2,4-Cl2-Ph
H H
H
H
I
1362
2-F-Ph
Ph
H H
H
H
I
1363
2-F-Ph
2-F-Ph
H H
H
H
I
1364
2-F-Ph
4-F-Ph
H H
H
H
I
1365
2-F-Ph
2-Cl-Ph
H H
H
H
I
1366
2-F-Ph
4-Cl-Ph
H H
K
H
I
1367
2-F-Ph
2,4-F2-Ph
H H
H
H
I
1368
2-F-Ph
2,4-Cl2-Ph
H H
H
H
I
1369
3-F-Ph
Ph
H H
H
H
I
1370
3-F-Ph
2-F-Ph
H H
H
H
I
1371
3-F-Ph
4-F-Ph
H H
H
H
I
1372
3-F-Ph
2-Cl-Ph
H H
H
H
I
1373
3-F-Ph
4-Cl-Ph
H H
H
H
I
1374
3-F-Ph
2.4-F2-Ph
H H
H
H
I
1375
3-F-Ph
2,4-Cl_—Ph
H H
H
H
I
4.
1376
4-F-Ph
Ph
H H
H
H
I
1377
4-F-Ph
2-F-Ph
H H
H
H
I
1378
4-F-Ph
4-F-Ph
H H
H
H
I
1379
4-F-Ph
2-Cl-Ph
H H
H
H
I
1380
4-F-Ph
4-Cl-Ph
H H
H
H
I
96-97.5
87
t.
88
Table 3 (continued)
23
n
£i-i&
Ex.
No.
R R1 R2 R4
1381
4-F-Ph
2,4-F2-Ph
H H
H
H
I
1382
4-F-Ph
2,4-Cl2-Ph
H H
H
H
I
1383
2-Cl-Ph
Ph
H H
H
H
I
1384
2-Cl-Ph
2-F-Ph
H H
H
H
I
1385
2-Cl-Ph
4-F-Ph
H H
H
H
I
1386
2-Cl-Ph
2-Cl-Ph
H H
H
H
I
1387
2-Cl-Ph
4-Cl-Ph
H H
H
H
I
1388
2-Cl-Ph
2,4-F2-Ph
H H
H
H
I
1389
2-Cl-Ph
2,4-Cl2-Ph
H H
H
H
I
1390
3-Cl-Ph
Ph
H K
H
H
I
1391
3-Cl-Ph
2-F-Ph
H H
H
H
I
1392
3-Cl-Ph
4-F-Ph
H H
H
H
I
1393
3-Cl-Ph
2-Cl-Ph
H H
H
H
I
1394
3-Cl-Ph
4-Cl-Ph
H H
H
H
I
1395
3-Cl-Ph
2,4-F2-Ph
H H
H
H
I
1396
3-Cl-Ph
2,4-Cl2-Ph
H H
H
H
I
1397
4-Cl-Ph
Ph
H H
H
H
I
1398
4-Cl-Ph
2-F-Ph
H H
H
H
I
1399
4-Cl-Ph
4-F-Ph
H H
H
H
I
1400
4-Cl-Ph
2-Cl-Ph
H H
K
H
I
1401
4-Cl-Ph
4-Cl-Ph
H H
H
H
I
1402
4-Cl-Ph
2,4-F2-Ph
H H
H
H
I
1403
4-Cl-Ph
2,4-Cl2-Ph
H H
H
H
I
1404
2-CF3-Ph
Ph
H H
H
H
I
1405
2-CF3-Ph
2-F-Ph
H H
H
H
I
1406
2-CF3-Ph
4-F-Ph
H H
H
H
I
Q H.P.*C
(foam)
88
234 84 1
89
Table 3 (continued)
Ex.
Ho.
B
n
1407 2-CF3-Ph
1408 2-CF3-Ph
1409 2-CF3-Ph
1410 2-CF3-Ph
1411 4-CF3-Ph
1412 4-CF3-Ph
1413 4-CF3-Ph
1414 4-CF3-Ph
1415 4-CF3-Ph
1416 4-CF3-Ph
1417 4-CF3-Ph
1418 2,4-F2-Ph
1419 2,4-F2-Ph
1420 2,4-F2-Ph
1421 2,4-F2-Ph
1422 2,4-F2-Ph
1423 2,4-F2-Ph
1424 2,4-F2-Ph
1425 2,4-Cl2-Ph
1426 2,4-Cl2-Ph
1427 2,4-Cl2-Ph
1428 2,4-Cl2-Ph
1429 2,4-Cl2-Ph
2-Cl-Ph
4-Cl-Ph
2,4-F2-Ph
2,4-Cl2-Ph
Ph
2-F-Ph
4-F-Ph
2-Cl-Ph
4-Cl-Ph
2,4-F2-Ph
2,4-Cl2-Ph
Ph
2-F-Ph
4-F-Ph
2-Cl-Ph
4-Cl-Ph
2,4-F2-Ph
2,4-Cl2-Ph
Ph
2-F-Ph 4-F-Ph 2-Cl-Ph 4-Cl-Ph
R R^ Q M.P.*C
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
H H H H I
89
90
Table 3 (continued)
23 4 84 1
EX. Ko.
o
1430 2,4-Cl2-Ph 2,4-F2-Ph
1431 2,4-Cl -Ph 2,4-Cl -Ph
1432 Ph
1433 4-F-Ph
1434 4-F-Ph
1435 Ph
1436 4-F-Ph
1437 4-F-Ph
1438 Ph
1439 4-F-Ph
1440 4-F-Ph
2,4-F2-Ph
2-F-Ph 2,4-F2-Ph
2,4-F2-Ph
2-F-Ph
2,4-F2-Ph
2,4-F2-Ph
2-F-Ph
2,4-F2-Ph
« «1 «2 _4 „ R R_ R_ R_ Q
H H H H I
H H H H I
H H H H -SS-
H H H H -SS-H H H H -SS-
H H H H -SSCH
3
H H H H -SSCH3 H H H H -SSCH3 0
H H H H SCNHMe
0 »•
H H H H SCNHMe 0
H H H H SCNHMe
H.P.'C
1441 Ph
2,4-F2-Ph
H H H H SCNH-n-Bu
1442 4-F-Ph
1443 4-F-Ph
1444 Ph
1445 4-F-Ph
1446 4-F-Ph
144 7 Ph
1448 4-F-Ph
1449 4-F-Ph
2-F-Ph
2,4-F2-Ph
2,4-F2-Ph
2-F-Ph 2,4-F2-Ph
2,4-F2-Ph
2-F-Ph 2,4-F2-Ph
H H H H SCNH-n-Bu
O «•
H H H H SCNH-n-Bu
H H H H Cl
H H H H Cl H H H H Cl
H H H H CHO
H H H H CHO H H H H CHO
90
23 4 84
/
91
Table 3 (continued)
o
Ex.
No.
1450 Ph
B
2,4-F2-Ph
12 4 R R_ R_ R_ Q
H H H H SCH2CN
M.P.'C
1451 4-F-Ph
1452 4-F-Ph
1453 Ph
1454 4-F-Ph
1455 4-F-Ph
1456 Ph
1457 4-F-Ph
1458 4-F-Ph
1459 Ph
1460 4-F-Ph
1461 4-F-Ph
2-F-Ph
2,4-F2-Ph 2,4-F2-Ph 2-F-Ph
2.4-F2-Ph 2.4-F2-Ph 2-F-Ph
2,4-F2-Ph
4-F-Ph 2-F-Ph 2-F-Ph
H H H H SCH2CN oil
H H H H SCH2CN
H H H H SCH2SCN
H H H H SCH2SCN
H H H H SCH2SCN
H H H H SCC1..
H H H H SCC1.
H H H H SCC1.
1462 4-F-Ph 2-F-Ph
H H H H S-n-Bu semi-solid H H H H F H H H H Br 0
• t
H H H H SCH„
1463 4-F-Ph 2-F-Ph
1464 4-F-Ph 2-F-Ph
1465 4-F-Ph
1466 4-F-Ph
2-F-Ph 2-F-Ph
146 7 4-F-Ph 2-F-Ph
H H H H SCH
fl ^
0 O
H H H H S-n-Pr f*
O
0
M
H H H H -S-t-Bu H H H H SCF2H
H H H H SCF-CF.H 2 2
1468* 4-F-Ph 2-F-Ph
H H H H SCH2CN (oil)
91
V '■ '':■ '..v '"1 I '■ ■ .
92
Table 3 (continued)
234 84 1
Ex.
Wo. A
1469* 4-F-Ph
1470 4-F-Ph
1471 4-F-Ph
1472 4-F-Ph
1 2 4 JB R R R R g
2-F-Ph H H H H SCH.CH
it ^
0 O
2-F-Ph H H H H SCH.SCH
.. 2
0
0-3
2-F-Ph H H H H S-CHCW
• •
0
o
2-F-Ph H H H H SCH2C02CH3
M.P.'C
(oil)f
1473 4-F-Ph
14 74 4-F-Ph
1475 4-F-Ph
2-F-Ph H H H H SCNH-allyl
0 ••
2-F-Ph H H H H SCNH-i.-Pr
O •«
2-F-Ph H H H H SCNHPh
1476 4-F-Ph
1477 4-F-Ph
2-F-Ph H H H H SCNH-(4-Cl-Ph)
0 ••
2-F-Ph H H H H SCNHC^Ph
1478 4-F-Ph
2-F-Ph H H H H SCNHCH2-(4-CH30-Ph)
14 79 4-F-Ph 2-F-Ph H H H H CCH,
92
* ~
^- ? " :j,v
r^;
G
93
Table 3 (continued)
234 84 1
Ex. No.
A
B
R
E!
si g*
2
0
1480
4-F-Ph
2-F-Ph
H
H
H
H
COH 0
1481
4-F-Ph
2-F-Ph
H
H
H
H
C0CH3 0
1482
4-F-Ph
2-F-Ph
H
H
H
H
CO-i-Pr
1483
4-F-Ph
2-F-Ph
H
H
H
H
SCN
1484
4-F-Ph
2-F-Ph
H
H
H
H
SSCH Ph 2
1485
4-F-Ph
2-F-Ph
H
H
H
H
SS-allyl
1486
4-F-Ph
2-F-Ph
H
H
H
H
SSPh
M.P.*C
*A11 compounds in this table are compounds in which E is a bond except 1468 and 1469 in which E is an oxygen atom.
a NHR: (CDC13) 6 4.9 (s, 2H); 5.1 (s, IH); 5.2 (s, IH);
.3 (s, IH); 6.7 (m, 2H); 6.9 (m, 2H); 7.2 (m, 2H); 7.5 (m, IH); 7.6 (s, IH); 12.2 (brs, IH).
b NMR: (CDC13) 6 4.7 (ABq, 2H); 5.3 (s, 2H); 5.8 (s,
IH); 6.7 (ra, 2H); 6.9 (m, 2H); 7.3 (m, 2H); 7.5 (m, IH); 7.8 (s, IH).
c NMR: (CDC13) 6 3.8 (ABq, 2H); 4.7 (ABq, 2H); 5.2 (s,
IH); 5.3 (two s, 2H); 6.9-7.2 (m, 4H); 7.2-7.4 (m, 3H); 7.5 (m, IH); 7.8 (s, IH).
d NMR: (CDC13) 6 0.92 (t, 3H); 1.4-1.7 (m, 4H); 3.1 (t, 35 2H); 4.5 (ABq, 2H); 5.4 (two s, 2H); 5.8 (s, IH);
7.0 (ra, 4H); 7.2 (m, 3H); 7.5 (m, 2H); 7.8 (s, IH)
93
;ISii ? *
234 84 1
I
r
94
e NMR: (CDC13> 6 2.7-3.5 (in, 2H); 4.3 (s, IH); 4.4 (m, 2H); 5.2 (ra, 2H); 6.8-7.4 (m, 8H); 7.9 (m, IH).
^ f NMR: (CDC13) 6 2.7-3.4 (m, 2H); 4.2 (d, IH); 4.5
(ABq, 2H); 5.3 (ra, 2H) ; 6.8-7.4 (in, 8H) ; 7.9 (d, IH)
f • -
-5
4
Z--
3
f
'i
I
94
•*.-vnwr**l*>MK4;i!rt\ZmlWl«W
23 4 8 4 1
95
Example 1487
Preparation of 2.3-bis(4-fluorophenyl)-1-(IH-1.2,4-triazol-l-yl)-3.4-epoxy-2-butanol
2,3-Bis(4-fluorophenyl)-1-(1H-1.2.4-triazol-l-yl)-3-butene-2-ol (1.0 g) was dissolved in 50 ml of anhydrous benzene and stirred under nitrogen. To this solution was added .012 g of vanadium acetonyl-10 acetonate. The solution was then refluxed and tert-butyl hydroperoxide (0.44 g dissolved in 5 ml of anhydrous benzene) was added dropwise over 10 minutes. The reaction was refluxed for one additional hour and then cooled to ambient temperature. The benzene was 15 removed ijn vacuo and the residue chromatographed on silica gel (2% MeOH/CH2Cl2). This yielded a total of 650 mg of diastereomeric products in a 3:1 ratio. Further chromatography resulted in the separation of the diastereomers. The major isomer was a waxy white 20 solid. NMR (CDC13/TMS) 6 2.60 (d. J=6Hz. IH);
3.48 (d. J-6HZ. IH); 4.70 (q. J«7Hz. 2H); 5.25 (S. IH); 6.8-7.3 (ra. 8H); 7.55 (s. IH); 7.90 (s. IH).
The minor isomer was an amorphous white solid. NMR (CDC13/TMS) 6 2.55 (d. J=6H. IH); 2.75 (d. 25 J-6HZ. IH); 4.80. (q. J«7Hz); 5.0 (s. IH); 6.85 - 7.10 (m. 4H); 7.15-7.45 (m. 4H); 7.80 (s. IH); 8.05 (s. IH).
The epoxides shown in Table 4 were prepared or can be prepared by the method described in Example 1487.
95
96 Table 4
CRf^OR2
A-CCH,) -CZ—C C(H
2 n
•3><V
-j] //
B
EX. Ko.
A
B
n
. 5 si
.gf
.R3
4
R H.P
1487
4-F-Ph
4-F-Ph
0
H H
H
H
H 53-
1488
4-F-Ph
2,4-Cl2-Ph
0
H H
H
H
H
1489
4-F-Ph
4-Cl-Ph
0
H H
H
H
H
1490
4-F-Ph
2,4-F2-Ph
0
H H
H
H
H
1491
4-F-Ph
4-CF3-Ph
0
H H
H
H
H
1492
4-F-Ph
2-F-Ph
0
H H
H
H
H
1493
4-F-Ph
2-Cl-Ph
0
H H
H
H
H
1494
4-F-Ph
H-C4F9
0
K H
H
H
H
1495
3-F-Ph
4-F-Ph
0
H H
H
H
H
1496
3-F-Ph
2,4-Cl2-Ph
0
H H
H
H
H
1497
3-F-Ph
4-Cl-Ph
0
H H
H
H
H
1498
3-F-Ph
2,4-F2-Ph
0
H H
H
H
H
1499
3-F-Ph
4-CF^-Ph
0
H H
H
H
H
1500
3-F-Ph
2-F-Ph
0
H H
H
H
H
1501
3-F-Ph
2-Cl-Ph
0
H H
H
H
H
1502
3-F-Ph
G-C4F9
0
H H
H
H
H
1503
4-Cl-Ph
4-F-Ph
0
H H
H
H
H
1504
4-Cl-Ph
2,4-Cl2-Ph
0
H H
H
H
H
1505
4-Cl-Ph
4-Cl-Ph
0
H H
H
H
H
1506
4-Cl-Ph
2,4-F -Ph
0
K H
H
H
H
96
234841
97
rr\
Ex.
No.
1507 4-Cl-Ph
1508 4-Cl-Ph
1509 4-Cl-Ph
1510 4-Cl-Ph
1511 2-Cl-Ph
1512 2-Cl-Ph
1513 2-Cl-Ph
1514 2-Cl-Ph
1515 2-Cl-Ph
1516 2-Cl-Ph
1517 2-Cl-Ph
1518 2-Cl-Ph
1519 3-Cl-Ph
1520 3-Cl-Ph
1521 3-Cl-Ph
1522 3-Cl-Ph
1523 3-Cl-Ph
1524 3-Cl-Ph
1525 3-Cl-Ph
1526 3-Cl-Ph
1527 Ph
1528 Ph
1529 Ph
1530 Ph
1531 Ph
1532 Ph
Table 4 (continued) B
n R R1 R2 R3 R4 M.P.'C
4-CF^-Ph 0 H H H H H
2-F-Ph 2-Cl-Ph n"C4F9 4-F-Ph
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
2,4-Cl2-Ph 0 H H H H H
4-Cl-Ph
0 H H H H H
2,4-F2-Ph 0 H H H H H 4-CF3-Ph 0 H H H H H
2-F-Ph 2-Cl-Ph b-c4f9 4-F-Ph
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
2,4-Cl2-Ph 0 H H H H H
4-Cl-Ph
0 H H H H H
2,4-F2-Ph 0 H H H H H 4-CF3-Ph 0 H H H H H
2-F-Ph 2-Cl-Ph n_C4F9 4-F-Ph
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H 88-94
2,4-Cl2-Ph 0 H H H H H
4-Cl-Ph
0 H H H H H
2,4-F2-Ph 0 H H H H H 4-CF3-Ph 0 H H H H H
2-F-Ph
0 H H H H H
97
RSSSBse-:
vi«'/ -f
234 84 1
98
Table 4 (continued)
/""N
Ex.
Ho. A
B
n
R
ri
R!
£
R4 M.P.#C
1533 Ph
2-Cl-Ph
0
H
H
H
H
H
1534 Ph
S-C4F9
0
H
H
H
H
H
1535 4-CF3-Fh
4-F-Ph
0
H
H
H
H
H
1536 4-CF3-Ph
2,4-Cl2-Ph
0
H
H
H
H
H
1537 4-CF3-Ph
4-Cl-Ph
0
H
H
H
H
H
1538 4-CF3-Ph
2,4-F2-Ph
0
H
H
H
H
H
1539 4-CF3-Ph
4-CF3-Ph
0
H
H
H
H
H
1540 4-CF3-Ph
2-F-Ph
0
\
H
H
H
H
H
1541 4-CF3-Ph
2-Cl-Ph
0
H
H
H
H
H
1542 4-CF3-Ph n-C4F9
0
H
H
H
H
H
1543 4-Br-Ph
4-F-Ph
0
H
H
H
H
H
1544 4-Br-Ph
2,4-Cl2-Ph
0
H
H
H
H
H
1545 4-Br-Ph
4-Cl-Ph
0
H
H
H
H
H
1546 4-Br-Ph
2,4-F2-Ph
0
H
H
H
H
H
1547 4-Br-Ph
4-CF3-Ph
0
H
H
H
H
H
1548 4-Br-Ph
2-F-Ph
0
H
H
H
H
H
1549 4-Br-Ph
2-Cl-Ph
0
H
k
H
H
H
1550 4-Br-Ph s-c4f9
0
H
h
H
H
H
1551 2,4-Cl2-Ph
4-F-Ph
0
H
H
H
H
H
1552 2,4-Cl2-Ph
2,4-Cl2-Ph
0
H
H
h
H
H
1553 2,4-Cl2-Ph
4-Cl-Ph
0
H
H
H
H
H
1554 2,4-Cl2-Ph
2,4-F2-Ph
0
H
H
H
H
H
1555 2,4-Cl2-Ph
4-CF -Ph 3
0
H
H
H
h
H
1556 2,4-Cl2-Ph
2-F-Ph
0
H
H
h
H
H
1557 2,4-Cl2-Ph
2-Cl-Ph
0
H
H
H
H
H
1558 2,4-Cl2-Ph
G-C4F9
0
H
H
h
H
H
98
--—
urf.' /j, t-i ^-prfliufr-'** •*•''"' '•
o o
99
234 84 1
.
Table 4
(continued)
Ex.
No. A
B
n R
si
1
si;
da!
1559 2-F-Ph
4-F-Ph
0 H
H
H
H
H
1560 2-F-Ph
2,4-Cl -Ph 0 H
H
H
H
H
1561 2-F-Ph
4-Cl-Ph
0 H
H
H
H
H
1562 2-F-Ph
2,4-F2-Ph
0 H
h h
H
H
1563 2-F-Ph
4—CF^-Ph
0 H
H
h
H
H
1564 2-F-Ph
2-F-Ph
0 H
h h
H
h
1565 2-F-Ph
2-Cl-Ph
0 H
h h
h h
1566 2-F-Ph n-C4F9
0 H
H
H
H
H
1567 2,4-F2-Ph
4-F-Ph
0 H
H
H
H
H
1568 2,4-F2-Ph
2,4-Cl2-Ph
0 H
H
H
H
H
1569 2,4-F2-Ph
4-Cl-Ph
0 H
H
H
H
H
1570 2,4-F2-Ph
2,4-F2-Ph
0 H
h
H
H
H
1571 2,4-F2-Ph
4-CF3-Ph
0 H
H
H
H
H
1572 2,4-F-Ph
2-F-Ph
0 H
H
H
H
H
2
1573 2,4-F2-Ph
2-Cl-Ph
0 H
H
H
H
H
1574 2,4-F2-Ph n-C4F9
0 H
H
H
H
H
1575 Ph
4-F-Ph
0 H
CH3
H
H
H
1576 Ph
4-F-Ph
0 -(CH
2}2"
H
H
h
1577 Ph
4-F-Ph o ch3
CH3
H
h
H
1578 4-F-Ph
4-F-Ph
0 H
CH3
H
H
H
1579 4-F-Ph
4-F-Ph
0 -(CH
2>2~
H
H
H
1580 4-F-Ph
4-F-Ph o ch3
ch3
H
H
H
1581 4-Cl-Ph
2,4-Cl2-Ph
0 H
ch3
H
H
H
99
100
Table 4 (continued)
r>
Ex.
No. A
B
n
R
si
S!
si
R
1582 4-Cl-Ph
2,4-Cl2-Ph 0
-(ch2
V
h h
h
1583 4-Cl-Ph
2,4-Cl2-
•Ph 0
CH3
CH3
h h
h
1584 2-Cl-Ph
4-Cl-Ph
0
h
"S
h h
h
1585 2-Cl-Ph
4-Cl-Ph
0
-<ch2
V
h h
h
1586 2-Cl-Ph
4-Cl-Ph
0
c»3
CH3
h h
H
1587 4-F-Ph
4-F-Ph
0
H
C2»5
H
H
H
1588 4-F-Ph
4-F-Ph
0
H
i-CjH
[7H
H
H
1589 4-F-Ph
4-F-Ph
0
H
n-C.H 4
9«
H
H
1590 4-F-Ph
4-F-Ph
0
H
Ph
H
K
H
1591 4-F-Ph
4-F-Ph
0
H
t-CH 4
9«
H
H
1592 4-F-Ph
4-F-Ph
0
H
Ph
H
H
H
1593 4-F-Ph
4-F-Ph
0
CH3
t-CH — 4
9«
H
H
1594 4-F-Ph
4-F-Ph
0
CT3
Ph
H
H
H
1595 4-F-Ph
4-F-Ph
0
-<ch2)
3~
H
H
H
1596 4-F-Ph
4-F-Ph
0
-(ch2)
4~
H
H
H
1597 4-F-Ph
4-F-Ph
0
-(ch2)
"
H
H
H
1598 4-F-Ph
4-F-Ph
0
-(ch2)
6~
H
H
H
1599 4-CH3-Ph
4-F-Ph
0
H
CH3
H
H
H
1600 4-F-Ph
4-F-Ph
1
H
CH3
H
H
H
1601 4-Cl-Ph
4-F-Ph
4
H
CH3
H
h
H
1602 n-C.F_ - 4 9
4-F-Ph
0
h ch3
H
H
H
1603 (CH3)2N
4-F-Ph
1
h ch3
H
H
H
100
234 8 4 1
r>
©
101
Table 4 (continued)
Ex. No.
B
16OA 5-Cl-2-thienyl 4-F-Ph
1605 2-Cl-3-thienyl 4-F-Ph
1606 1-imidaroyl 4-F-Ph
1607 4-F-Ph
1608 4-F-Ph
1609 4-F-Ph
1610 4-F-Ph
1611 4-CF30-Ph
1612 2-Cl-Ph
1613 2-Cl-Ph
1614 2-Cl-Ph
1615 2-Cl-Ph
1616 4-Cl-Ph
1617 4-Cl-Ph
1618 4-Cl-Ph
1619 4-Cl-Ph
1620 Ph
1621 Ph
1622 Ph
1623 Ph
1624 OH
1625 OH
1626 OH
4-F-Ph
4-F-Ph
4-F-Ph
4-F-Ph
4-F-Ph
4-Cl-Ph
4-Cl-Ph
4-Cl-Ph
4-Cl-Ph n R R* gi 0 H CH3 H
0 H CH3 H
0 H CH3 H
0 H H CH,
3 4 2_ I_ M.P.'C
H H
H H
H H
H H
0 H H CH CH=CH_ H H 2 2
0 H H COCH.
0 H H CO CH_ 2 3
0 H H 0 H H
H
CH.
H H
H H
H H
H H
0 H H CH2CH=CH2 H H
0 H H COCH.
0 H H CO CH.
2 3
2,4-Cl2-Ph 0 H H
CH.
H H H H H H
2,4-Cl -Ph 0 H H CH_CH=CH, H H
2,4-Cl2-Ph 0 H H 2,4-Cl2-Ph 0 H H
2
COCH.
CO.CH. 2 3
4-F-Ph 4-F-Ph 4-F-Ph 4-F-Ph
0 H H CH.
H H H H H H
0 H H CH2CH«CH2 H H
0 H H COCH.
0 H H COCH 2 3
2,4-Cl2-Ph 2 H H H 2,4-Cl2-Ph 3 H H H 2,4-Cl2-Ph 4 H H H
H H
H H
H H
H H
H H
101
C:
102
1
f
)'•
Table
4 (Continued)
Ex.
No. A
B
n R R'
l_&
2
_ R
li
1627 1-imidazoyl
2,4-Cl2-Ph
1 H H
H
H
H
1628 1-imidazoyl
2,4-Cl2-Ph
2 H H
H
H
H
1629 1-imidazoyl
4-F-Ph
3 H H
H
H
H
1630 1-imidazoyl
4-F-Ph
4 H H
H
H
H
1631 1H-1,2,4-triazoyl-l-
-yl 4-F-Ph
1 H H
H
H
H
1632 1H-1,2,4-triazoyl-
-1-yl 4-F-Ph
2 H H
H
H
H
1633 1H-1,2,4-triazoyl-
•yl 4-F-Ph
3 H H
H
H
H
1634 1H-1,2,4-triazoyl-l-yl 4-F-Ph
4 H H
H
H
H
1635 1H-1,2,4-triazoyl-l-yl 2,4-Clj-Ph
1 H H
H
H
H
1636 Ph '
2,5-F2-Ph
0 H H
H
H
H
1637 Ph
3-F-Ph
0 H H
H
H
H
1638 Ph
2,5-Cl2-Ph
0 H H
H
H
H
1639 Ph
3-Cl-Ph
0 H H
H
H
H
1640 Ph
4-Br-Ph
0 H H
H
H
H
1641 Ph
4-I-Ph
0 H H
H
H
H
1642 Ph
3,4-F2-Ph
0 H H
H
H
H
1643 Ph
3,4-Cl2-Ph
0 H H
H
H
H
1644 Ph
2,6-Cl2-Ph
0 H H
H
H
H
1645 Ph
2-Cl-(4-F)-Ph
0 H H
H
H
H
1646 Ph
2,4,6-Cl -Ph
0 H H
H
H
H
234 84 1
1647 Ph 2-F-(4-Cl)-Ph 0 H H H H H
1648 Ph Ph 0 H H H H H
1649 Ph 4-CH^-Ph 0 H H H H H
1650 Ph 3-CHj-Ph 0 H H H H H
1651 Ph 2-CH3-Ph 0 H H H H H
1652 Ph 2-CF3-Ph 0 H H H H H
1653 Ph 3-CF3-Ph 0 H H H H H
102
#«"f!rst!: tr>Wv-v^'wiiyi ft '■
* .., ^tr-*'1
234 84 1
103
Table 4 (Continued)
o c
v/
Ex. Ko.
B
,1 -2 3 _4
1654 Ph
2-F-(4-CF3)-Ph
0 H H
H
H
H
1655 Ph
4-CH30-Ph
0 H H
H
H
H
1656 Ph
-Cl-2-pyridyl
0 H H
H
H
H
1657 Ph
-Cl-2-thienyl
0 H H
H
H
H
1658 Ph
2-C1-3-thienyl
0 H H
H
H
H
1659 Ph
-C4H9
0 H H
H
H
H
1660 2-Cl-Ph
2,5-F2-Ph
0 H H
H
H
H
1661 2-Cl-Ph
3-F-Ph
0 H H
H
H
H
1662 2-Cl-Ph
2,5-Cl2-Ph
0 H H
H
H
H
1663 2-Cl-Ph
3-Cl-Ph
0 H H
H
H
H
1664 2-Cl-Ph
4-Br-Ph
0 H H
H
H
H
1665 2-Cl-Ph
4-I-Ph
0 H H
H
H
H
1666 2-Cl-Ph
3,4-F2-Ph
0 H H
H
H
H
1667 2-Cl-Ph
3,4-Cl2-Ph
0 H H
H
H
H
1668 2-Cl-Ph
2,6-Cl2-Ph
0 H H
H
H
H
1669 2-Cl-Ph
2-C1-(4-F)-Ph
0 H H
H
H
H
1670 2-Cl-Ph
2,4,6-Cl3-Ph
0 H H
H
H
H
1671 2-Cl-Ph
2-F-(4-Cl)-Ph
0 H H
H
H
H
1672 2-Cl-Ph
Ph
0 H H
H
H
H
1673 2-Cl-Ph
4-CH3-Ph
0 H H
H
H
H
1674 2-Cl-Ph
3-CH3-Ph
0 H H
H
H
H
1675 2-Cl-Ph
2-CH3-Ph
0 H H
H
H
H
1676 2-Cl-Ph
2-CF3-Ph
0 H H
H
H
H
1677 2-Cl-Ph
3-CF3-Ph
0 H H
H
H
H
1678 2-Cl-Ph
2-F-(4-CF3)-Ph
0 H H
H
H
H
1679 2-Cl-Ph
4-CH30-Ph
0 H H
H
H
H
103
"""wjtssg<*§,:
? V?.''
; '\v k * v1 j .
?i i ■1
n n
Ex. Mo.
1680 2-Cl-Ph
1681 2-Cl-Ph
1682 2-Cl-Ph
1683 3-Cl-Ph
234 84 1
104
Table 4 (Continued)
B
-Cl-2-pyridyl 5-C1-2-thienyl 2-C1-3-thienyl 2,5-F2-Ph o =2 „3 4u „
n R R R R R M.P. *C
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
1684
3-Cl-Ph
2,5-Cl2-Ph
0 H H
H
H
H
1685
4-F-Ph
2,5-F2-Ph
0 H H
H
H
H
1686
4-F-Ph
3-F-Ph
0 H H
H
H
H
1687
4-F-Ph
2,5-Cl2-Ph
0 H H
H
H
H
1688
4-F-Ph
3-Cl-Ph
0 H H
H
H
H
1689
4-F-Ph
4-Br-Ph
0 H H
H
H
H
1690
4-F-Ph
4-I-Ph
0 H H
H
H
H
1691
4-F-Ph
3,4-F2-Ph
0 H H
H
H
H
1692
4-F-Ph
3,4-Cl2-Ph
0 H H
H
H
H
1693
4-F-Ph
2,6-Cl2-Ph
0 H H
H
H
H
1694
4-F-Ph
2-Cl-(4-F)-Ph
0 H H
H
H
H
1695
4-F-Ph
2,4,6-Cl3-Ph
0 H H
H
H
H
1696
4-F-Ph
2-F-(4-Cl)-Ph
0 H H
H
H
H
1697
4-F-Ph
Ph
0 H H
H
H
H
1698
4-F-Ph
4-CH3-Ph
0 H H
H
H
H
1699
4-F-Ph
3-CH3-Ph
0 H H
H
H
H
1700
4-F-Ph
2-CH3-Ph
0 H H
H
H
H
1701
4-F-Ph
2-CF3-Ph
0 H H
H
H
H
1702
4-F-Ph
3-CF3-Ph
0 H H
H
H
H
1703
4-F-Ph
2-F-(4-CF )-Ph
0 H H
H
H
H
104
jti
23 4 8 4 1
105
Table 4 (Continued)
Ex. No.
n
O
1704 4-F-Ph
1705 4-F-Ph
1706 4-F-Ph
1707 4-F-Ph
1708 3-F-Ph
1709 3-F-Ph
1710 4-Cl-Ph
1711 4-Cl-Ph
1712 4-Cl-Ph
1713 4-Cl-Ph
1714 4-Cl-Ph
1715 4-Cl-Ph
1716 4-Cl-Ph
1717 4-Cl-Ph
1718 4-Cl-Ph
1719 4-Cl-Ph
1720 4-Cl-Ph
1721 4-Cl-Ph
1722 4-Cl-Ph
1723 4-Cl-Ph
1724 4-Cl-Ph
1725 4-Cl-Ph
1726 4-Cl-Ph
1727 4-Cl-Ph
1728 4-Cl-Ph
1729 4-Cl-Ph
1730 4-Cl-Ph
4-CH^O-Ph
-Cl-2-pyridyl
2-Cl-3-thienyl 5-Cl-2-thienyl 2,5-Cl2-Ph
2,5-F2-Ph
2,5-F2-Ph
3-F-Ph
2.5-Cl2-Ph
3-Cl-Ph
4-Br-Ph 4-I-Ph 3,4-F2-Ph
3,4-Cl2-Ph
2.6-Cl2-Ph
2-Cl-(4-F)-Ph 2,4,6-Cl3-Ph
2-F-(4-Cl)-Ph Ph
4-CH3-Ph
3-CH3-Ph 2-CH3-Ph
2-CF3-Ph
3-CFj-Ph 2-F-(4-CF3)-Ph
4-CH30-Ph
-Cl-2-pyridyl
12 3 4 n R R~ FT_ R_ R_ M.P.'C
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
0 H H H H H
105
KMW.^ .
.. „_i._ ,
r>
o
\jy
234 84 1
106
Table 4 (Continued)
Ex.
No. A
B
nH
2R3R
1731 4-Cl-Ph
-C1-2-thienyl
0 H H
H
H
H
1732 4-Cl-Ph
2-Cl-3-thienyl
0 H H
H
H
H
1733 4-Cl-Ph
CH2
'^'C H.-4F
6 4
0 H H
H
H
H
1734 4-Cl-Ph t-butyl
0 H H
H
H
H
1735 4-Cl-Ph n-hexyl
0 H H
H
H
H
1736 4-Cl-Ph n-heptyl
0 H H
H
H
H
1737 4-Cl-Ph n-octyl
0 H H
H
H
H
1738 4-Cl-Ph
-C F 6 13
0 H H
H
H
H
1739 4-Cl-Ph
-C F 8 17
0 H H
H
H
H
1740 4-Cl-Ph
4-pyridyl
0 H H
H
H
H
1741 4-Cl-Pb
2-pyridyl
0 H H
H
H
H
1742 4-Cl-Ph
2-thienyl
0 H H
H
H
H
1743 4-Cl-Ph
4-n-Bu-Ph
0 H H
H
H
H
1744 4-Cl-Ph
4-n-Bu0-Ph
0 H H
H
H
H
1745 4-Cl-Ph
-CF3-2-pyridyl
0 H H
H
H
K
1746 4-Cl-Ph
-CH3S02-2-thienyl
0 H H
H
H
H
174 7 4-C2H5-Ph
4-F-Ph
0HH
H
H
H
1748 4-(n-Bu0)-Ph
4-F-Ph
0 H H
H
H
H
1749 2-CH_S0_-iraida-3 2
4-F-PH
0 H H
H
H
H
zol-l-yl
1750 5-CH3S-l,2,4-
4-F-Ph
0 H H
H
H
H
triarol-l-yl
1751 "C6F13
4-F-Ph
0 H H
H
H
H
1752 -°8F17
4-F-Ph
0 H H
H
H
H
1753 3-CH30-Ph
4-F-Ph
0 H H
H
H
H
106
-. - *„,,..--„-«.™..~--.=
107
Table 4 (Continued)
Ex.
Ho. A
1754 2-CF3-imidazol-l-yl
1755 4-(i-C3H?0)-Ph
1756 4-I-Ph
1757 3,4-F2-Ph
1758 3,4-Cl2-Ph
1759 2,6-Cl2-Ph
1760 2-Cl-(4-F)-Ph
1761 2,4,6-Cl3-Ph
1762 4-CH3-Ph
1763 3-CH3-Ph
1764 2-CH3-Ph
1765 2-CF -Ph
3
1766 3-CF3-Ph
1767 4-CH30-Ph
1768 2,3-Cl2-Ph
1769 3,5-Cl2-Ph
1770 2,5-Cl2-Ph
1771 3-Br-Ph
1772 4-CH0-Ph
2 5
1773 2,4-(CH3)2-Ph
1774 2,4,6-(CH3)3-Ph
1775 4-Ph-Ph
1776 5-Cl-2-thienyl
1777 2-C1-3-thienyl
B n R R1 R4
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H K H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
4-F-Ph 0 H H H H H
107
234 8 4 1
108
Table 4 (Continued)
Ex.
No. A
B n R R
i; R;
2 3 4
R R M.P *C
o
17 78 1-imidazoyl
4-F-Ph 0 H H
H
H
H
1779 lH-l,2,4-triazoyl-
•1-yl 4-F-Ph 0 H H
H
H
H
1780 2-pyridyl
4-F-Ph 0 H H
H
H-
H
1781 5-Cl-2-pyridyl
4-F-Ph 0 H H
H
H
H
o
1782 3-pyridyl
4-F-Ph 0 H H
H
H
H
1783 4-pyridyl
4-F-Ph 0 H H
H
K
H
1784 n-C.F. - 4 9
4-F-Ph 0 H H
H
K
H
1785 4-I-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1786 3,4-F2-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1787 3,4-Cl2-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1788 2,6-Cl2-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1789 2-Cl-(4-F)-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1790 2,4,6-Cl3-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1791 4-CH3-Ph
2,4-Cl2~Ph 0 H H
H
H
H
1792 3-CH3-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1793 2-CH3-Ph
2,4-Cl -Ph 0 H H 2
H
H
H
o
1794 2-CF3-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1795 3-CF3-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1796 4-CH30-Ph
2,4-Cl2-Ph 0 H H
H
H
H
#
1797 2,3-Cl2-Ph
2,4-Cl2-Ph 0 H H
H
H
H
1798 3,5-Cl -Ph
2,4-Cl -Ph O H H
H
H
H
1799 2,5-Cl2-Ph 2,4-Cl2-Ph 0 H H H H H
1800 3-Br-Ph 2,4-Cl2~Ph 0 H H H H H
1801 4-C^O-Ph 2,4-Cl2-Ph 0 H H H H H 35 1802 2,4-(CH3)2-Ph 2,4-Cl2~Ph 0 H H H H H
108
234 84 1
109
Table 4 (Continued)
Ex.
mo. a b n r r! h.p.'c
1803 2,4,6-(CH3)3-Ph 2,4-Cl2-Ph 0 H H H H H
1804 4-Ph-Ph 2,4-Cl2-Ph 0 H H H H H
1805 5-Cl-2-thienyl 2,4-Cl2-Ph 0 H H H H H
1806 2-Cl-3-thienyl 2,4-Cl2-Ph 0 H H H H H 10 1807 1-imidazoyl 2,4-Cl2-Ph 0 H H H H H
1808 1H-1,2,4-triazoyl-l-yl 2,4-Cl2-Ph 0 H H H H H
1809 2-pyridyl 2,4-Cl2-Ph 0 H H H H H
1810 5-Cl-2-pyridyl 2,4-Cl2~Ph 0 H H H H H
1811 3-pyridyl 2,4-Cl2~Ph 0 H H H H H
1812 4-pyridyl 2,4-Cl2-Ph 0 H H H H H
1813 H-C4F9 2,4-Cl2-Ph 0 H H H H H
1814 4-I-Ph 4-Cl-Ph 0 H H H H H
1815 3,4-F2-Ph 4-Cl-Ph 0 H H H H H
1816 3,4-Cl2-Ph 4-Cl-Ph 0 H H H H H
1817 2,6-Cl2-Ph 4-Cl-Ph 0 H H H H H
1818 2-Cl-(4-F)-Ph 4-Cl-Ph 0 H H H H H
1819 2,4,6-Cl3-Ph 4-Cl-Ph 0 H H H H H
1820 4-CH3-Ph 4-Cl-Ph 0 H H H H H
1821 3-CH3-Ph 4-Cl-Ph 0 H H H H H 3Q 1822 2-CH3-Ph 4-Cl-Ph 0 H H H H H
1823 2-CF3-Ph 4-Cl-Ph 0 H H H H H
1824 3-CF3-Ph 4-Cl-Ph 0 H H H H H
1825 4-CH30-Ph 4-Cl-Ph 0 H H H H H
109
234841
o r>.
G 10
110
Table 4 (Continued)
No. A
B
n R R
1 R2 R3 R4 M.P.*C
1826 2,3-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
1827 3,5-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
1828 2,5-Cl2-Ph
4-Cl-Ph
0 H H
H
H
H
1829 3-Br-Ph
4-Cl-Ph
0 H H
H
H
H
1830 4-EtO-Ph
4-Cl-Ph
0 H H
H
H
H
1831 2,4-(CH3)2-Ph
4-Cl-Ph
0 H H
H
H
H
1832 2,4,6—(CH ) -Ph j j
4-Cl-Ph
0 H H
H
H
H
1833 4-Ph-Ph
4-Cl-Ph
0 H H
H
H
H
1834 5-Cl-2-thienyl
4-Cl-Ph
0 H H
H
H
H
1835 2-Cl-3-thienyl
4-Cl-Ph
0 H H
H
H
H
1836 1-imidazoyl
4-Cl-Ph
0 H H
H
H
H
1837 1H-1,2,4-triazoyl-l-yl
4-Cl-Ph
0 H H
H
H
H
1838 2-pyridyl
4-Cl-Ph
0 H H
H
H
H
1839 5-Cl-2-pyridyl
4-Cl-Ph
0 H H
H
H
H
1840 3-pyridyl
4-Cl-Ph
0 H H
H
H
H
1841 4-pyridyl
4-Cl-Ph
0 H H
H
H
H
1842 n-C F "49
4-Cl-Ph
0 H H
H
H
H
1843 4-I-Ph
2,4-F2-Ph
0 H H
H
H
H
1844 3,4-F2-Ph
2,4-F2-Ph
0 H H
H
H
H
1845 3,4-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
H
1846 2,6-Cl2-Ph
2,4-F2-Ph
0 H H
H
H
K
1847 2-Cl-(4-F)-Ph
2,4-F2-Ph
0 H H
H
H
H
1848 2,4,6-Cl3-Ph
2,4-F2-Ph
0 H H
H
H
H
1849 4-CH3-Ph
2.4-F2-Ph
0 H H
H
H
H
1850 3-CH3-Ph
2,4-F2-Ph
0 H H
H
H
H
110
234 84 1
G
in
Table 4 (Continued)
Ex.
No^ A B n R R1 R2 R3 R4 H.P.'C
1851 2-CH3-Ph
2,4-F2-Ph 0 H H
H
H
H
1852 2-CF3-Ph
2,4-F2-Ph 0 H H
H
H
H
1853 3-CF3-Ph
2,4-F2-Ph 0 H H
H
H
H
1854 4-CH30-Ph
2,4-F2-Ph 0 H H
H
H
H
1855 2,3-Cl2-Ph
2,4-F2-Ph 0 H H
H
K
H
1856 3,5-Cl2-Ph
2,4-F2-Ph 0 H H
H
H
H
1857 2,5-Cl2-Ph
2,4-F2-Ph 0 H H
H
H
H
1858 3-Br-Ph
2,4-F2-Ph 0 H H
H
H
H
1859 4-C2H50-Ph
2,4-F2-Ph 0 H H
H
H
H
1860 2,4-(CH3)2-Ph
2,4-F2-Ph 0 H H
H
H
H
1861 2,4,6-(CH3)3-Ph
2,4-F2-Ph OHH
H
H
H
1862 4-Ph-Ph
2,4-F_-Ph OHH
H
H
H
z
1863 5-C1-2-thienyl
2,4-F2-Ph OHH
H
H
H
1864 2-Cl-3-thienyl
2,4-F2-Ph OHH
H
H
H
i865 1-imidaroyl
2,4-F2-Ph OHH
H
H
H
1866 1H-1,2,4-triazoyl-l-yl
2,4-F2-Ph OHH
H
H
H
1867 2-pyridyl
2,4-F2-Ph OHH
H
H
H
1868 5-Cl-2-pyridyl
2,4-F2-Ph OHH
H
H
K
1869 3-pyridyl
2,4-F2-Ph OHH
H
H
H
1870 4-pyridyl
2,4-F2-Ph OHH
H
H
H
1871 n-C4Fg
2,4-F2-Ph OHH
H
H
H
111
234 84 1
n-
o'
112
Table
4 (Continued)
Ex. Wo.
A
B
n R R
si
R4
1872
4-F-Ph
4-F-Ph
OHH
h ch3
H
1873
4-F-Ph
4-F-Ph
OHH
H
CH3
CH3
1874
4-F-Ph
4-F-Ph
OHH
H
F
H
1875
4-F-Ph
4-F-Ph
OHH
H
F
CH3
1876
4-F-Ph
4-F-Ph
OHH
H
F
F
1877
4-Cl-Ph
2,4-Cl2-
-Ph OHH
H
CH3
H
1878
4-Cl-Ph
2.4-Cl2-
-Ph OHH
H
CH3
CH3
1879
4-Cl-Ph
2.4-Cl2-
-Ph OHH
H
F
H
1880
4-Cl-Ph
2.4-Cl2-
-Ph OHH
H
F
OT3
1881
4-Cl-Ph
2,4-Cl2-
■Ph OHH
H
F
F
1882
2-Cl-Ph
4-Cl-Ph
OHH
H
CH3
H
1883
2-Cl-Ph
4-Cl-Ph
OHH
H
CH3
OT3
1884
2-Cl-Ph
4-Cl-Ph
OHH
H
F
H
1885
2-Cl-Ph
4-Cl-Ph
OHH
H
F
CH3
1886
2-Cl-Ph
4-Cl-Ph
OHH
H
F
F
1887
Ph
4-F-Ph
OHH
H
ch3
H
1888
Ph
4-F-Ph
OHH
H
ch3
CH3
1889
Ph
4-F-Ph
OHH
H
F
h
1890
Ph
4-F-Ph
OHH
h
F
ch3
1891
Ph
4-F-Ph
OHH
H
F
F
H.P.'C
112
\ J, ,
Sl^L" '■",. .,
• ;.y- _
23 4 84 1
n>
i w
113
Pharmaceutical Utility
In vitro activity (Table 5) is expressed in terms of the minimal inhibitory concentration (MIC) of the test compound which inhibits the growth of yeasts 5 and fungi.
The target organisms. Candida albicans ATCC 11651 and Aspergillus fumiaatus ATCC 28214 are standardized. [V. Bezjak, J. Clinical Micro.. 21 509-512 (1984)] to a concentration of 107 10 organisms/ml and maintained at -70° until use. Test compounds are solubilized in dimethyl sulfoxide (DMSO) and diluted in Eagle's Minimum Essential Medium (EMEM) broth to achieve a final concentration of 200 vg/ml. Stock solutions of standard antifungal 15 agents are stored at -70° and diluted in EMEM as required.
The in vitro assay utilizes a microtiter broth dilution technique [L. Polonelli and G. Morace, Mycopatholoqia. 86. 21-28 (1984)] and C. Hughes. 20 et. al. Antimicrob. Act, and Chemo.. 25. 560-562(1984)]. Test compounds are serially diluted in EMEM to give graded concentrations ranging from 100 to 0.4 vg/nil. The appropriate wells are inoculated with the required
4
organism (C. albicans at 1 x 10 organisms/ml and 25 A. fumigatus at 5 x 105 organisms/ml) and the assay incubated at 30° for 24 hours. The extent of fungal growth is determined at an optical density equal to 540 nm using a scanning spectrophotometer (Flow® MCC) and MIC values, representing the minimal 30 concentration of a compound which inhibited growth,
are determined. [V. Grenta. et al. Antimicrob. Aq. and Chemo.. 22. 151-153 (1982)].
113
v.,,
234 84 1
\gn_^*r
114
The in vivo activity of test compounds is based on the percent (\) survival of infected animals receiving te6t or standard agent compared to that in an infected untreated group (Table 6). The in vivo 5 assays are chronic systemic infections lethal to mice within 7 days post infection. [J- Barnes, et al. Lab Investigation. 49 460-467 (1963). and T. Rogers and E. Balish. Infection and Immunity. 14 33-38 (1976)].
Candida albicans ATCC 11651. from a frozen
9
stock culture (10 organisms/ml) maintained at -70°.
n is diluted in saline to 1 x 10 organisms/ml and 0.2 ml inoculated intravenously (caudal vein) into 20.0 gm CF-1 female mice (Charles River).
Test compounds are routinely solubilized in 15 0.25\ (w/v) methylcellulose (Methocel®) but for those compounds difficult to solubilize 10* (w/v) Gmulophor® (EL620 GAF Corp.) is used. The standard antifungal agents, amphotericin B (Fungizone®) in water and ketoconazole (Nizoral®) in Methocel®. 20 are administered at 1.0 mg/kg/day and 150 mg/kg/day. respectively.
In a primary assay, mice (10 per group) are infected with C. albicans. and receive test compounds at 50 or 150 mg/kg/day via the subcutaneous route. 25 Animals are dosed with the test compound at 1 and 6 hour post-infection and then once daily for the next three days. Survival of mice in each group is recorded for 21 days.
Compounds which protect >70* of the infected 30 animals for 14 days at a dose 150 mg/kg/day or less are viewed as active.
114
2 3 4 8 4 1
115
Table 5
In Vitro Antifungal Results
C
V 5
CRR _ , Q \ OR
E Y" f a-(chj)n-c c—< j
Example MIC values (ug/ml)
Number C. albicans A. furoiqatus
1 <0.01 6.3
1 HCl salt 0.05 12.5
2 <0.4 1.6
3 <0.4 50
4 0.03 0.8 6 1.6 25
1.6 25
15 0.1 50
16 0.03 6.3
17 0.03 12.5
1.6 25
26 <0.4 12.5 25 26 HCl salt 0.03 0.4
27 <0.4 12.5
28 0.03 1.6
32 <0.4 1.6
33 0.03 0.03 30 34 0.03 3.2
34 HCl salt 0.03 1.6
0.03 0.1 35 HCl salt 0.03 <0.2 39 0.4 25
40 0.4 3.2
115
Hill o
'
116
Table 5 (Continued)
23 4 84 t
O
Example
Number
41
42 • 47
49
50
51
52
52 HCl salt
65
67
B 5
94
99
100
101 114 117
163
164 170 177 208 286 291
359
360
361 363 447 449
MIC values (tig/ml) C. albicans A. fumiqatus
0.4 0.03 0.03 0.03 0.1 0.03 0.03 0.03 0.2 0.03 <0.4 0.4 0.05 0.03 0.03 0.4 0.4 0.03 0.03 1.6 3.2 1.6 0.4 0.2 0.4 0.8 0.8 100 3.2 <0.4
50 6.3 1.6 12.5 0.8
3.2 0.4 0.4
100 100 12.5 50
6.3 3.2
12.5 50 100 12.5 1.6 100 >100 50 25 100 50 100 25 100 N.T. N.T.
116
-V,
234 84 1
117
Table 5 (Continued)
Example
Number
MIC values (ng/ral)
450
>100
N.T.
451
12.5
N.T.
452
>100
N.T.
453
1.6
>100
454
100
>100
455
N.T.
477
>100
N.T.
594
0.8
0.8
594 HCl salt
0.03
0.4
596
0.05
0.4
603
0.1
>100
605
0.2
100
608
0.4
6.3
620
0.03
0.05
622
0.03
0.1
627
0.03
644
0.03
0.4
646
0.03
0.4
651
0.8
100
656
<0.4
12.5
657
0.4
100
661
1.6
100
667
6.3
668
0.4
50
669
0.03
0.8
671
0.03
0.2
675
0.1
685
0.8
100
699
50
100
721
0.4
12.5
117
j
\
I
0
234 84 1
118
Table 5 (Continued)
Example
Number
MIC values (vg/ral) C. albicans A. fumiqatus
724
0.4
0.4
726
0.8
6.3
815
0.03
>100
905
0.04
100
1258
1.6
>100
1260
0.8
>100
1276
0.03
1.6
1276a
3.2
100
1277
0.03
6.3
1277 HCl salt
0.03
3.2
1277a
6.3
100
1278
<0.4
>100
1300
<0.4
6.3
1377
1.6
100
1451
>100
>100
1459
>100
>100
1487
0.4
6.3
1527
0.4
6.3
Standards*
Amphotericin B
Nystatin
-Fluorocytosine
Ketoconazole
Miconazole
0.33+0.2 1.3+0 0.14+0.1 <0.1 <0.1
1.4+0.5 3.0+1.0 5.7+4.0 11.0+5.0 1.3 + 0
•MIC values of the standard drugs are the mean of five determinations + Standard deviation
118
o o
119
TABLE 6
In Vivo Antifungal Results
* Survival (150
mg/kg per day)
Primary
Assay
EX.
Days
NO.
7
14
21
1
100
100
80
2
100
100
80
3
100
100
60
4
100
50
N.T.
6
50
0
0
100
90
60
16
100
100
100
17
100
90
70
100
100
50
26
100
100
100
26
salt
100
90
80
27
100
100
100
28
100
90
N.T.
32
100
90
50
33
100
100
100
34
100
100
100
34
salt
100
100
100
100
100
90
salt
100
100
70
39
100
80
N.T.
40
100
100
N.T.
41
100
100
N.T.
42
80
80
50
47
90
80
49
100
90
60
50
•
100
90
50
51
100
100
80
52
100
100
90
52
salt
100
100
90
55
100
70
50
65
100
70
50
67
100
100
100
85
100
80
70
94
100
40
99
100
100
40
100
100
50
101
100
90
60
114
70
117
60
0
0
163
90
60
40
234
119
^ aX' •
120
TABLE 6 (continued)
234 84 1
In Vivo Antifungal Results n
Ex. No.
164 208 286
359
360
361 363 453 594 596 603 608 620 622 627 644 646 651
656
657 661
667
668
669 671 675 685 721
724
725
726 905
1276 1276a
1277 1277a
1278 1487 1527
* Survival (150 mg/kg per Primary Assay
100 0
100 100 100 100 10 60 70 70 10 100 100 100 0 80 100 100 100 0 50 10 70 100 100 100 30 100 100 90 100 80 100 0
100 80 0
100 100
Day6
14
80 0 50 80 60 100 0 40 10 60 0 70 100 100 0 70 100 50 90 0 20 0 10 100 100 60 10 30 90 90 80 50 70 0
100 0 0 100 70
day)
21
70 0 20 80 40 90 0 30 0 40 0 20 90
100 0 50 70 20 40 0 0 0 0
100 60 0 0 30 40 40 10 20 50 0 90 0 0 70 20
120
fts'ivssv'w-n
-Vs..-.
234 84 1
Standards
Amphotericin B 100 Ketoconazole 100
N.T.: Not Tested
121
100 80
100 50
o
121
P ' 23 4 8 4 1
0
122
DOSAGE FORMS The antiraycotic agents of formula I can be administered by any means that effects contact of the active ingredient with the agent's site of action in ^ 5 the body. The compounds can be administered by any conventional means available for use in conjunction with pharmaceuticals, either as individual therapeutic agents or in a combination of therapeutic agents. | They can be administered alone, but are generally s 10 administered with a pharmaceutical carrier selected on the basis of the chosen route of administration and standard pharmaceutical practice.
The dosage administered will, of course, vary depending on the use and known factors such as the \ 15 pharmacodynamic characteristics of the particular agent, and its mode and route of administration: age,
health, and weight of the recipient: nature and extent of symptoms, kind of concurrent treatment, frequency of treatment, and the effect desired. 1 20 Dosage forms (compositions) suitable for
; administration contain from about 200 milligram to about 2000 milligrams of active ingredient per unit.
i
In these pharmaceutical compositions, the active ingredient will ordinarily be present in an amount of 25 about 0.5-95* by weight based on the total weight of the composition. For use in the treatment of said diseases, a daily dose of active ingredient can be about 10 to 50 milligrams per kilogram of body weight.
^|j! The composition may be in a
conventional pharmaceutical form suitable for oral administration, for example a tablet, a capsule, an emulsion or an aqueous or oily solution or suspension, or suitable for topical application, for example a cream, ointment or gel. It can also be administered 35 parenterally in 6terile liquid dosage forms.
122
234841
O
123
Gelatin capsules contain the active ingredient and powdered carriers, such as lactose, starch,
cellulose derivatives, magnesium stearate. stearic acid and the like. Similar diluents can be U6ed to f~~\ 5 make compressed tablets. Both tablets and capsules can be manufactured as sustained release products to provide for continuous release of medication over a period of hours. Compressed tablets can be sugar coated or film coated to mask any unpleasant taste and 10 protect the tablet from the atmosphere, or enteric coated for selective disintegration in the gastrointestinal tract.
The pharmaceutical compositions which are ointments, creams and gels can, for example, contain 15 the usual diluents, e.g. animal and vegetable fats,
waxes, paraffins, starch, tragacanth, cellulose derivatives, polyethylene glycols, silicones.
bentonites. silicic acid, talc and zinc oxide or mixtures of these substances.
In general, water, a suitable oil, saline,
aqueous dextrose (glucose), and related sugar solutions and glycols such as propylene glycol or polyethylene glycols are suitable carriers for parenteral solutions. Solutions for parenteral 25 administration preferably contain a water soluble salt of the active ingredient, suitable stabilizing agents.
and if necessary, buffer substances. Antioxidizing agents such as sodium bisulfite, sodium sulfite, or iflEk ascorbic acid, either alone or combined, are suitable
stabilizing agents.
All the pharmaceutical compositions
can also contain coloring and flavoring to increase patient acceptance.
Also used are citric acid and its 6alts and 35 sodium EDTA. In addition, parenteral solutions can
123
r^
234841
124
contain preservatives, such as benzalkonium chloride.
methyl or propyl-paraben, and chlorobutanol.
Suitable pharmaceutical carriers are described in Remington's Pharmaceutical Sciences. A. Osol. a 5 standard reference text in this field.
Useful pharmaceutical dosage forms for | administration of the compounds of "formula I . can j be illustrated as follows:
Capsules
(3 A large number of unit capsules are prepared by filling standard two-piece hard gelatin capsules each with 100 milligrams of powdered active ingredient, 150 milligrams of lactose. 50 milligrams of cellulose, and 6 milligrams magnesium stearate.
Soft Gelatin Capsules
A mixture of active ingredient in a digestable oil such as soybean oil. cottonseed oil or olive oil is prepared and injected by means of a positive displacement pump into gelatin to form soft gelatin 20 capsules containing 100 milligrams of the active ingredient. The capsules are washed and dried.
Tablets
A large number of tablets are prepared by Hp conventional procedures so that the dosage unit is 100
milligrams of active ingredient. 0.2 milligrams of colloidal silicon dioxide. 5 milligrams of magnesium stearate. 275 milligrams of microcrystalline cellulose. 11 milligrams of starch and 98.8 milligrams fy of lactose. Appropriate coatings may be applied to
increase palatability or delay absorption.
Injectable A parenteral composition suitable for administration by injection is prepared by stirring 1.5* by weight of active ingredient in 10* by volume 35 propylene glycol. The solution is made to volume with water for injection and sterilized.
124
.. x-;.
:: < ..... 234 84 1
125 Suspension
An aqueous suspension is prepared for oral administration so that each 5 milliliters contain 100 milligrams of finely divided active ingredient. 100 c. 5 milligrams of sodium carboxymethyl cellulose. 5
milligrams of sodium benzoate, 1.0 gram6 of sorbitol solution, U.S.P.. and 0.025 milliliters of vanillin.
Cream
A cream for topical application is prepared by 10 incorporating 100 milligrams of the finely pulverized active ingredient in 5 grams of a cream base which comprises 40* white petrolatum, 3* microcrystalline wax. 10* lanolin, 5* Span®20, 0.3* Tween®20 and 41.7* water.
125
234 84 1
126
Agricultural Formulations
The compounds of formula I when used for agricultural purposes will generally be used in formulation with a liquid or solid diluent or with an 5 organic solvent. Useful formulations of the compounds of Formula I can be prepared in conventional ways.
They include dU6ts. granules, pellets, solutions, emulsions, wettable powders, eraulsifiable concentrates and the like. Many of these may be applied directly. 10 Sprayable formulations can be extended in suitable media and used at spray volumes of from about one to several hundred liters per hectare. High strength compositions are primarily used as intermediates for further formulation. The formulations, broadly. 15 contain about 1* to 99* by weight of active ingredient(s) and at least one of a) about 0.1* to 35* surfactant(s) and b) about 5* to 99* solid or liquid inert diluent(s). More specifically, they will contain these ingredients in the following approximate 20 proportions:
Percent by Weight
Active
Ingredient Diluentfs) Surfactant(s)
Wettable Powders 20-90 0-74 1-10
Oil Suspensions. 5-50 40-95 0-35 Emulsions. Solutions,
(including Eraulsifiable Concentrates)
Aqueous Suspensions 10-50 40-84 1-20
Dusts 1-25 70-99 0-5
Granules and Pellets 1-95 5-99 0-15
High Strength 90-99 0-10 0-2
Compositions
Lower or higher levels of active ingredient can. of course, be present depending on the intended use 35 and the physical properties of the compound. Higher ratios of surfactant to active ingredient are sorae-
126
o a '
234 84 1
127
times desirable, and are achieved by incorporation into the formulation or by tank mixing.
Typical solid diluents are described in Watkins, et al.. "Handbook of Insecticide Dust Diluents and 5 Carriers". 2nd Ed., Dorland Book6. Caldwell, New Jersey. The more absorptive diluents are preferred for the wettable powders and the denser ones for du6ts. Typical liquid diluents and solvents are described in Marsden, "Solvents Guide." 2nd Ed., 10 Interscience, New York, 1950. Solubility under 0.1* is preferred for suspension concentrates; solution concentrates are preferably stable against phase separation at 0°C. "HcCutcheon's Detergents and Eraulsifiers Annual". MC Publishing Corp.. Ridgewood. 15 New Jersey, as well as Sisely and Wood. "Encyclopedia of Surface Active AgentB". Chemical Publ. Co.. Inc., New York. 1964. list surfactants and recommended uses. All formulations can contain minor amounts of additives to reduce foam, caking, corrosion, microbio-20 logical growth, etc. Preferably, ingredients should be approved by the U.S. Environmental Protection Agency for the use intended.
The methods of making such compositions are well known. Solutions are prepared by simply nixing the 25 ingredients. Fine solid compositions are made by blending and. usually, grinding as in a hammer or fluid energy mill. Suspensions are prepared by wet milling (see. for example. Littler. U.S. Patent 3.060.084). Granules and pellets may be made by 30 spraying the active material upon preformed granular carriers or by agglomeration techniques. See J. E. Browning, "Agglomeration". Chemical Engineering. Dec. 4, 1967, pp. 147ff. and "Perry's Chemical Engineer's Handbook", 4th Edn.. McGraw-Hill. N.Y., 35 1963. pp. 8-59ff.
127
234 84 1
128
For further information regarding the art of formulation, see for example:
H. M. Loux. U.S. Patent 3,235.361. Feb. 15. 1966. Col. 6. Line 16 through Col. 7, Line 19 and ^ 5 Examples 10 through 41.
R. W. Luckenbaugh. U.S. Patent 3.309.192.
March 14. 1967, Col. 5. Line 43 through Col. 7. Line 62 and Examples 8. 12. 15, 39. 41, 52, 53, 58. 132, 138-140, 162-164, 166, 167, 169-182. 10 H. Gysin and E. KnuBli, U.S. Patent 2.891,855,
June 23. 1959. Col. 3. Line 66 through Col. 5. Line 17 and Examples 1-4.
G. C. Klingman, "Weed Control as a Science".
John Wiley and Sons. Inc.. New York. 1961. pp. 81-96. 15 J. D. Fryer and S. A. Evan6. "Weed Control Hand book". 5th Edn. Blackwell Scientific Publications. Oxford. 1968. pp. 101-103.
Examples of useful formulations of compounds of the formula I are as follows.
Wettable Powder
2-(2.4-difluorophenyl)-3- (4-fluorophenyl)-l-(1H-1.2,4-triazol-l-yl)-3-buten-l-ol; and the (S) enantiomer thereof 80*
sodium alkylnaphthalenesulfonate 2*
sodium ligninsulfonate 2*
synthetic amorphous silica 3*
kaolinite 13*
The ingredients are blended, hammer-milled, re-blended and packaged.
Granule wettable powder of above example 15*
gypsum 69*
potassium sulfate 16*
The ingredients are blended in a rotating or 35 fluid bed mixer and water sprayed on to accomplish granulation. When most of the material has reached
128
234841
129
the desired range of 1.0 to 0.42 ram. (U.S.S. No. 18 to 40 sieves), the granules are removed, dried, and screened. Oversize material is crushed to produce additional material in the desired range.
High Strength Concentrate
2-(2-fluorophenyl)-3-(4-fluorophenyl)-l-(lH-l.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof 98.5%
silica aerogel 0.5%
synthetic amorphous fine silica 1.0%
The ingredients are blended and ground in a hammer-mill to produce a high strength concentrate essentially all passing a U.S.S. No. 50 sieve (0.3 mm openings). This material may then be formulated in a variety of ways.
Aqueous Suspension
2-(2.4-difluorophenyl)-3-phenyl-1-(1H-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S)
enantiomer thereof 25%
hydrated attapulgite 3%
crude calcium ligninsulfonate 10%
sodium dihydrogen phosphate 0.5%
water 61.5%
The ingredients are ground together in a ball, sand, or roller mill until the solid particles have been reduced to diameters under 10 microns.
Solution
2-(2.4-difluorophenyl)-3-(4-chlorophenyl)-l-(1H-1.2.4-triazol-l-yl)-3-buten-2-ol; and the (S) enantiomer thereof 30%
dimethylformamide 70%
The ingredients are combined and stirred to produce a solution, which can be used for low volume applications.
129
234 84 1
130
Eraulsifiable Concentrate
2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-l-(lH-1,2.4-triazol-l-yl)-3-buten-2-ol: and the (S) enantiomer thereof 15*
blend of calcium sulfonates and nonionic surfactants 25*
xylene 60*
The ingredients are corabined and stirred until the active is dissolved. A fine screen filter is in-10 eluded in packaging operation to insure the absence of any extraneous undissolved material in the product.
130
234 84 1
O
131 Utility
The compounds of formula I are useful as plant disease control agents. They are effective in controlling a broad spectrum of plant diseases, 5 particularly foliar pathogens of ornamental,
vegetable, field, cereal and fruit crops, such as. Pucclnla. recondlta, Eryslphe clchorace&rum, Eryslphe gramlnls, Venturis, ln&equ&lis, Cetcospora. arachldlcola, and Monlllnla frucclcola, RhlzoctonlA sol&nl, Pyrlcularla oryz&e, Botrytls 10 clnerea, Pseudocercosporella herpotrichlorldes, and
Cercosporldlum personatum. They also control seed pathogens.
Disease control is ordinarily accomplished by applying an effective amount of the compound 15 either pre- or post-infection to the portion of the plant to be protected, such as the roots, 6tems. foliage, fruit, seeds, tubers or bulbs, or to the media (soil or sand) in which the plants to be protected are growing. The compound may also be 20 applied to the seed from which the plants to be protected are to be grown.
Rates of application for these compounds can be influenced by many factors of the environment and should be determined under actual use conditions. 25 Foliage can normally be protected when treated at a rate of from less than 1 g/ha to 5000 g/ha of active ingredient. Plants growing in soil treated at a concentration from 0.1 to about 20 kg/ha can be |||^ protected from disease. Seed and seedlings can
normally be protected when seed is treated at a rate of from 0.06 to about 3 grams per kilogram of seed.
The compounds of ;;£ormula I can be mixed with fungicides, bactericides, acaricides,
nematicides. insecticides, or other biologically 35 active compounds in order to achieve desired results
131
! 234841
O
132
| with a minimum expenditure of time, effort and j material. Amounts of these biologically active
] materials added for each part by weight of the j composition of this invention may vary from 0.05 to j 5 25 parts by weight. Suitable agents of this type are f
j well-known to those skilled in the art. Some are listed below:
Fungicides
methyl 2-benzimidazolecarbamate (carbendazim) ■ tetramethylthiuram disulfide (thiuram)
| n-dodecylguanidine acetate (dodine)
manganese ethylenebisdithiocarbamate (maneb) 1.4-dichloro-2. 5-dimethoxybenzene (chloroneb)methyl 15 l-(butylcarbamoyl)-2-benzimidazolecarbamate (benomyl) 2-cyano-N-ethylcarbamoyl-2-methoxyiminoacetamide (cymoxanil)
N-trichloromethylthiotetrahydrophthalaraide (captan) N-trichloromethylthiophthalimide (folpet)
dimethyl 4.4'-(o-phenylene)bis(3-thioallophanate)-(thiophanate-methyl)
2-(thiazol-4-yl)benzimidazole (thiabendazole)
aluminum tris(0-ethyl phosphonate)(phosethyl aluminum) tetrachloroisophthalonitrile (chlorothalonil)
2.6-dichloro-4-nitroaniline (dichloran)
N-(2.6-dimethylphenyl)-N-(methoxyacetyl)alanine methyl ester (metalaxyl) cis-N-[1.1.2.2-tetrachloroethyl)thio]cyclohex-4-ene-1.2-dicarbioxiraide (captafol) 30 3-(3.5-dichlorophenyl)-N-(1-raethylethyl)-2.4-dioxo-l-imidazolidine carboxamide (iprodione)
3-(3.5-dichlorophenyl)-5-ethenyl-5-raethyl-2.4-oxazoli-dinedione (vinclozolin)
kasugamycin
O-ethyl-S.S-diphenylphosphorodithioate(edifenphos)
4-(3-(4-(1.l-dimethyl-ethyl)phenyl)-2-methyl)propyl-2.6-dimethylmorpholine (Fenpropimorph)
132
~"v;' .
23 4
133
Bactec icides tribasic copper sulfate streptomycin sulfate oxytetracycline
Acaricides senecioic acid, ester with 2-sec-butyl-4.6-dinitro-
phenol (binapacryl) 6-methyl-l.3-dithiolo[2,3-B]quinonolin-2-one (oxythio-10 quinox)
2.2.2-trichloro-l.1-bis(4-chlorophenylJethanol-(dicofol)
bis(pentachloro-2.4-cyclopentadien-l-yl)(dienochlor) tricyclohexyltin hydroxide (cyhexatin) 15 hexakis(2-methyl-2-phenylpropyl)distannoxane (fenbutin oxide)
Nematicides
2-[diethoxyphosphinylimino]-l,3-diethietane 20 (fosthietan)
S-methy1-1-(dimethylcarbamoyl)-N-(methylcarbamoyloxy)-
thioformimidate(oxamyl) S-methyl-l-carbamoyl-N-(methylcarbamoyloxy)thio-formimidate
N-isopropylphosphoramidic acid. 0-ethyl-0'-[4-(methyl-thio)-m-tolyl]diester (fenamiphos)
Insecticides
3-hydroxy-N-methyIcrotonamide(dimethyIphosphate)ester 30 (monocrotophos)
methylcarbamic acid, ester with 2.3-dihydro-2.2-
diraethyl-7-benzofuranol (carbofuran) O—[2.4.5-trichloro-a-(chloromethyl)benzyl]phosphoric acid. O'.O'-diraethyl ester (tetrachlorvinphos)
133
2343
134
2-raercaptosuccinic acid, diethyl ester. S-ester with thionophosphoric acid, dimethyl ester (raalathion) phosphorothioic acid, O,O-dimethyl. 0-£-nitrophenyl ester (methyl parathion)
methylcarbamic acid, ester with a-naphthol (carbaryl)
methyl N-[[(methylamino)carbonyl]oxy]ethanimidothio-
ate (raethomyl)
N' -(4-chlor o-o.-to lyl) -N.N-dimethylf ormamidine 10 (chlordimeform)
0.0-diethyl-0-(2-isopropyl-4-methyl-6-pyrimidyl)-
phosphorothioate (diazinon)
octachlorocamphene (toxaphene)
O-ethyl O-jj-nitrophenyl phenylphosphonothioate (EPN) 15 cyano(3-phenoxyphenyl)-methyl 4-chloro-a-(l-methyl-ethyl)benzeneacetate (fenvalerate)
(3-phenoxyphenyl)methyl (+)-cis.trans-3-(2.2-dichloro-ethenyl)-2,2-dimethylcyclopropanecarboxylate (permethrin)
dimethyl N.N'-[thiobis(N-methylimmo)carbonyloxy]]-bis[ethanimidothioate] (thiodicarb) phosphotothiolothionic acid, O-ethyl-O-t4-(methyl-
thio)phenyl]-S-n-propyl ester (sulprofos) a-cyano-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2.2-5 dimethylcyclopropane carboxylate (cypermethrin) cyano(3-phenoxyphenyl)methyl 4-(difluoromethoxy)-
a-(methylethyl)benzeneacetate (flucythrinate) O.O-diethy1-0-(3,5.6-trichloro-2-pyridyl)phosphoro-thioate (chlorpyrifos) 0 0,0-dimethyl-S-[(4-oxo-l,2,3-benzotriazin-3-(4H)-yl)-raethyl]phosphorodithioate (azinphos-methyl) 5.6-dimethyl-2-dimethylamino-4-pyrimidinyl dimethyl carbamate (pirimicarb) S-(N-formyl-N-methylcarbamoylmethyl)-0.O-dimethyl 5 phosphorodithioate (formothion)
134
2 3 4
O
r-i
135
S-2-(ethylthioethyl)-0.O-dimethyl phosphiorothioate
(demeton-S-methyl)
a-cyano-3-phenoxybenzyl cis-3-(2.2-dibcomovinyl)-
2.2-dimethylcyclopropane carboxylate (deltaroethrin) cyano(3-phenoxyphenyl)methyl ester of N-(2-chloro-4-trifluoromethylphenyl)alanine (fluvalinate)
This invention is further illustrated by the following examples.
135
234
136 Example A
The test compounds were dissolved in acetone in an amount equal to 6* of the final volume and then suspended at a concentration of 100 or 20 ppra in purified water containing 250 ppra of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on apple seedings. The following day plants were inoculated with a spore suspension of Venturia inaequalis. the causal agent of apple scab, and incubated in a saturated humidity chamber at 20°C for 24 hours and then in a growth chamber at 22°C for 11 days, when disease ratings were made.
Example B
The test compounds were dissolved in acetone in an amount equal to 6* of the final volume and then suspended at a concentration of 100 or 20 ppm in purified water containing 250 ppm of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on peanut seedlings. The following day plants were inoculated with a spore suspension of Cercosporidium personatura. the causal agent of Peanut Late Leafspot. and incubated in a saturated humidity chamber at 22°C for 24 hours, then in a high humidity chamber at 27°C for 7 days, and then in a growth chamber at 29°C for 7 days, when disease ratings were made.
Example C
The test compounds were dissolved in acetone in an amount equal to 6\ of the final volume and then suspended at a concentration of 100 or 20 ppm in purified water containing 250 ppm of the surfactant TREM 014 (polyhydric alcohol esters). This
136
23484
137
suspension was sprayed to the point of run-off on broad bean seedlings. The following day plants were inoculated with a spore suspension of Botrvtis cinerea. the causal agent of bean grey mold, and 5 incubated in a saturated humidity chamber at 20°C for 24 hours when disease ratings were made.
Example D
The test compounds were dissolved in acetone 10 in an amount equal to 6* of the final volume and then suspended at a concentration of 100 or 20 ppm in purified water containing 250 ppra of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on wheat seedlings. The following day plants were inoculated with a spore dust of Ervsiohe qraminis f. sp. tritici. the causal agent of wheat powdery mildew, and incubated in a growth chamber at 20°C for 6 days, when disease ratings were made.
Example E
The test compounds were dissolved in acetone * in an amount equal to 6* of the final volume and then suspended at a concentration of 100 or 20 ppm in purified water containing 250 ppm of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on rice seedlings. The following day plants were inoculated with a spore suspension of Pvricularia orvzae. the causal agent of rice blast, and incubated in a saturated humidity chamber at 27°C for 24 hours and then in a growth chamber at 29°C for 4 days, when disease ratings were made.
137
138 Example F
The test compounds were dissolved in acetone in an amount equal to 6* of the final volume and then suspended at a concentration of 100 or 20 ppm in 5 purified water containing 250 ppra of the surfactant TREM 014 (polyhydric alcohol esters). Thi6 suspension was sprayed to the point of run-off on rice seedlings. The following day plants were inoculated with a spore suspension of Rhizoctonia 10 solani. the causal agent of rice sheath blight, and incubated in a saturated humidity chamber at 27°C for 48 hours and then in a growth chamber at 29°C for 4 days, when disease ratings were made.
Example G
The test compounds were dissolved in acetone in an amount equal to 61 of the final volume and then suspended at a concentration of 100 or 20 ppm in purified water containing 250 ppm of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on wheat seedlings. The following day plants were inoculated with a spore suspension of Puccinia recondita. the causal agent of wheat leaf rust, and incubated in a saturated humidity chamber at 20°C for 24 hours and then in a growth chamber at 20°C for 8 days, when disease ratings were made.
Example H
The test compounds were dissolved in acetone in an amount equal to 6* of the final volume and then suspended at a concentration of 100 or 20 ppra in purified water containing 250 ppra of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on
138
V r* "v"
«w v_
234 84 1
139
tomato seedlings. The following day plants were inoculated with a spore suspension of Phvtophthora infestans. the causal agent of tomato late blight, and incubated in a saturated humidity chamber at 20°C ) 5 for 24 hours and then in a growth chamber at 20°C for
days, when disease ratings were made.
Example I
The test compounds were dissolved in acetone G 10 in an amount equal to 6\ of the final volume and then suspended at a concentration of 100 or 20 ppm in purified water containing 250 ppm of the surfactant TREM 014 (polyhydric alcohol esters). This suspension was sprayed to the point of run-off on 15 grape seedlings. The following day plants were inoculated with a spore suspension of Plasmorpara viticola. the causal agent of grade downy mildew, and incubated in a saturated humidity chamber at 20°C for 24 hours, then in a growth chamber at 20°C for 7 days 20 and then held in a saturated humidity chamber at 20°C for 24 hours, when disease ratings were made.
Example J
The test compounds were dissolved in acetone 25 so that 1 ml of solution yielded a concentration of 0.5 kilogram/hectare when added to cucumber seeds and soil in pots. Seeds and soil were then inoculated with a mixture of sand, cereal and mycelium of the fungus Pvthium a p ha na derma turn, causal agent of 30 cucumber damping off. and incubated in a growth chamber at 30°C for 14 days. Disease ratings were then made.
Example K
The test compounds were dissolved in acetone so that 1 ml of solution yielded a concentration of
1
1 13 9
'""v, • . v '' -i - '
23484t o
*4p»*
140
0.5 kilogram/hectare when added to cotton seeds and soil in pots. Seeds and soil were then inoculated with a mixture of sand, cereal and mycelium of the fungus Rhizoctonia solani. causal agent of cotton 5 blight, and incubated in a growth chamber at 30°C for 14 days. Disease ratings were then made.
Example L
The test compounds were dissolved in acetone 10 so that 1 ml of solution yielded a concentration of 0.5 kilogram/hectare when added to cucumber seeds and soil in pots. Seeds and soil were then inoculated with a mixture of sand, cereal and mycelium of the fungus Fusarium oxysporum f. sp. cucumerinum. causal 15 agent of cucumber wilt, and incubated in a growth chamber at 30°C for 14 days. Disease ratings were then made.
Example M
The test compounds were dissolved in acetone so that 1 ml of solution yielded a concentration of 0.5 kilogram/hectare when added to lima bean seeds and soil in pots. Seeds and soil were then inoculated with a mixture of sand, cereal and 25 mycelium of the fungus Sclerotium rolfsii. causal agent of southern blight, and incubated in a growth chamber at 30°C for 14 days. Disease ratings were then made.
Results for Examples A-M are given in Table
7. In this table, a rating of 100 indicates 100* disease control and a rating of 0 indicates no disease control relative to the controls. A - entry indicates that no test was performed with the 35 specified compound. A P entry indicates that disease control was not measured due to phytoxicity.
140
" ■ ■ ' •*
fS
234 84 1
141
-V
Table 7
".t
1
J
Ex.
Rate
Ex. Ex.
Ex.
Ex.
Ex.
Ex. Ex.
Ex.
Ex.
Rate
Ex.
Ex.
Ex.
Ex.
4 -'*
1
Wo.
(PPM)
A B
C
D
E
_F G_
H
1
(ks/ha)
J
K
L
M
{
1
100
62 100
81
98
90
97 100
0
12
0
P
0
P
I G
2
100
62 100
93
98
95
100 100
0
99
0
P
0
P
3
100
100 100
93
93
93 100
0
0
0
0
P
P
Q
4
100
100 100
88
100
96
100 100
0
81
0
0
P
0
6
100
0 82
84
98
0
0 96
23
0
0
0
P
0
100
0 76
52
63
0
17 64
0
0
0
0
0
0
s C
100
100 100
99
100
1
93 100
26
0
0
p
0
P
Cr
16
100
0
0
0
23
0
0
P
0
s
1
74 99
27
67
0
0 100
-
-
3
17
100
0
81
0
42
0
0
P
0
80 100
57
95
0
0 100
-
-
£'
100
100 100
96
91
31
48 97
0
0
0
p
P
26
100
100 100
96
86
31
61 97
23
86
0
27
100
62 100
88
98
95
100 100
24
84
0
0
0
0
?
28
100
89 100
88
98
81
100 100
0
6
0
0
0
0
A
32
100
100 100
98
95
97
33 100
0
98
0
0
P
P
-
33
100 20
47 99
56 37
89
0 0
60
29 100
0
24
0
0
0
0
!-
34
100
69 100
94
60
86
16 66
0
0
0
0
0
0
100
100 100
96
100
0
100 96
0
26
0
0
0
0
-- HI
39
100
89 97
96
98
7
100 100
0
81
0
0
0
0
40
100
19 100
80
91
7
61 96
0
0
0
0
0
0
41
100
100 100
96
98
7
97 100
0
100
0
0
0
0
42
100 20
29 100
100 38
100 98
31 15
41 0 100
0
23
—
—
—
—
0
47
100
31
47
0
-
-
-
-
93 100
26
98
0 100
-
-
49
100
89 100
62
100
76
96 100
0
0
0
P
0
P
50
100
100 100
98
95
86
93 100
0
46
0
P
0
P
51
100
100 100
96
100
0
100 100
0
0
p
P
p
P
52
100
100 100
95
94
93
81 100
0
0
0
P
0
0
141
%rvv4tw'^^-•
?a v--'
234 84 1
142
Table 7 (Continued)
Ex.
Rate
Ex.
Ex.
Ex.
Ex.
Ex.
Ex.
EX.
Ex.
Ex.
Rate
Ex.
Ex.
Ex.
Ex.
No.
(PPM)
A
B
C
D
E
*F
G
H
I
(kK/ha)
J
K
L
H
65
100
34
96
94
85
62
100
0
0
0
0
0
0
67
100
-
0
68
-
2
1
0
0
0
0
58
99
60
85
0
89
-
-
94
100
86
61
96
98
78
36
100
0
0
0
0
p p
99
100
100
100
89
83
98
61
100
0
83
0
0
p p
100
100
100
100
96
83
95
80
100
0
83
P
0
p
0
101
100
100
100
94
83
0
80
100
0
100
0
0
p
0
163
100
-
0
-
0
0
-
-
-
-
0
81
58
23
0
99
-
-
164
100
-
0
-
8
0
-
-
-
-
82
100
57
88
0
100
-
-
170
100
-
-
0
0
-
-
-
-
19
69
32
95
0
0
100
-
-
177
100
-
0
-
0
0
-
-
-
-
82
26
50
46
0
0
100
-
-
208
100
84
37
83
76
4
61
97
0
74
0
0
0
0
291
100
-
1
0
-
24
78
-
-
-
-
32
26
6
83
1
0
73
-
-
-
359
100
72
100
83
95
88
62
100
0
0
0
0
0
0
360
100
88
100
71
86
74
49
93
0
0
0
0
0
0
361
100
-
1
0
-
27
9
-
-
-
-
43
26
29
33
1
0
100
-
-
363
100
0
49
92
28
0
0
38
0
0
0
0
0
0
447
100
-
0
24
46
46
0
0
24
0
0
0
0
448
100
-
0
54
-
0
42
16
0
0
-
-
-
-
449
100
71
0
24
0
76
13
0
51
0
0
0
0
450 _
100
-
0
54
11
46
34
0
51
0
0
0
0
451
100
16
100
72
0
0
0
0
0
0
0
0
0
0
452
100
36
0
54
46
0
67
0
0
0
0
0
0
453
100
55
32
75
94
0
0
100
0
0
0
0
0
0
142
143
Table 7 (Continued)
23 4 8 4 t
Ex.
Rate
Ex. Ex.
Ex.
EX.
Ex.
Ex. Ex.
Ex.
Ex.
Rate
Ex.
Ex.
Ex.
Ex.
No.
(PPM)
A B
C
D
E
_F G_
H
I
(kR/ha)
J
K
L
M
454
100
0 0
0
22
0
0 0
0
0
-
-
-
-
455
100
64 65
0
12
0
0 43
0
0
0
0
0
0
456
100
82 0
58
53
98
0 96
9
0
0
0
0
0
477
100
95 100
76
100
48
48 100
0
0
P
p
P
p
594
100
86 100
93
77
2
- 100
0
79
0
60
100
50
596
100
0
0
0
-
-
-
-
91 95
94
0
0 100
-
-
603
100
44 97
91
69
0
- 95
0
0
0
0
0
0
605
100
70 99
32
81
0
- 100
0
0
0
0
0
0
608
100
87 100
98
98
4
81 100
0
0
0
0
p p
618
100
100 100
98
89
0
- 100
0
0
0
80
80
p
620
100
100 100
96
98
51
100 100
0
0
0
0
P
0
622
100
100 100
84
99
0
100 100
0
26
0
0
P
0
627
100
0
14
0
61
-
-
-
-
31 70
19
81
0
0 99
-
-
644
100
100 100
94
100
100
100 100
23
0
0
0
P
p
646
100
100 100
95
98
97
61 100
0
99
100
0
0
0
651
100
0
62
0
.46
0
0
o
0
67 0
7
67
0
0 100
-
-
656
100
93 100
88
97
0
50 100
0
0
p p
p
657
100
62 100
81
98
49
97 100
24
37
0
0
0
0
661
100
0
70
85
-
-
-
-
81 79
61
62
0
100
-
-
663
100
42 100
95
99
57
36 100
0
39
-
-
-
-
667
100
0
0
0
0
0
0
0
13 14
7
39
0
0 0
-
-
668
100
1
0
22
31
-
-
-
-
65 17
31
31
1
0 100
-
-
669
100
100 100
90 :
100
96 :
100 100
0
0
0
0
p
0
671
100
100 100
92
94
84 :
100 100
0
84
0
p p
0
143
.•-is
•■tfV.'r - 7-y";
»»*-.■< w »sws(?¥r'?^s?': -'• ':''''•'1'"
\.. \
1 O
23 4 84 1
144
Table 7
(Continued)
Ex.
Rate
Ex. Ex.
Ex.
EX.
Ex.
Ex. Ex.
Ex.
Ex.
Rate
Ex.
Ex.
Ex.
Ex.
Mo.
(PPM)
1 A B
C
D
. E
_F G_
H
I
J
-JL
L
6 75
100
-
-
0
62
0
69
-
—
_
40 0
42
44
0
0 16
-
-
685
100
0
29
-
-
-
-
-
—
57 66
28
67
-
721
100
73 89
95
94
18
100 100
0
0
P
p
P
P
724
100
100 100
95
100
63
100 100
0
0
0
p
P
. P
726
100
-
-
-
0
0
0
38
0
0
0
75 0
23
81
0
0 100
-
-
815
100
40 98
0
62
2
- 97
0
65
0
0
0
0
90S
100
0
37
0
87
0
0
0
0
7 0
47
0
0 16
-
-
1276
100
100
96
100
1
97 100
0
0
0
p
0
p
93 100
86
100
1
52 100
-
-
1276a
100
1
0
16
22
-
-
-
-
42 26
33
88
1
0 100
-
-
1277
100
9 65
0
0
0
0 39
0
0
0
0
0
1277a
100
1
52 -
8
31
-
-
-
-
58 74
24
95
1
0 100
-
-
-
1278
100
100 100
87
85
17
36 100
0
16
0
0
0
0
1300
100
100 100
93
92
58
81 100
0
0
0
0
0
0
1304
100
100 100
97
100
78
88 100
0
18
0
0
0
0
1377
100
100 100
96
92
58 :
100 100
0
44
0
p
0
p
1381
100
100 100
97
98
51
73 100
0
78
0
50
0
0
1451
100
86 84
48
77
2
- 93
0
79
0
0
0
0
1459
100
72 70
65
31
17
0 65
0
74
0
0
0
0
1468
100
40 0
0
77
2
- 93
0
46
0
60
0
0
1469
100
68 84
81
77
2
- 100
24
89
0
80
70
0
1527
100
0 100
93 100
—
100
0
0
0
P
0
p
14 4
>*r .*&&}■'i J'.ti- ■s"- v- ". 'y* .■■>."• ■ ' '• ""■*" V'.'""1 • '
tr
Claims (7)
1. A compound of the formula: crr1o « /\r3R4 <IX) atch2}nc"?— b o 234 84 1 in which A is perfluoroalkyl of 1-8 carbon atoms, N(CH3)2# OH. naphthyl optionally substituted with a total of 1-3 substituentB each of which is independently selected from halogen and CF3# optionally substituted with 1 or 2 methyl groups, phenyl optionally substituted with a total of 1-3 substituents each of which is independently selected from: halogen, alkyl of 1-4 carbon atoms, haloalkyl of 1-4 carbon atoms, alkoxy of 1-4 carbon atoms, and with no more than one group selected from: haloalkoacy of 1-4 carbon atoms, S(O) R5. R6, 2-.3-.or 4-m pyridyl. imidazol-l-yl. 1.2.4- tr iazol-l-yl, and -l^ X optionally substituted with 1 or 2 methyl groups. or a heterocycle selected from imidazol-l-yl, 1,2.4-triazol-l-yl, 2-or 3-thienyl. and 2-.3-,or 4-pyridyl optionally substituted with one or two substituents each of which is independently selected from: halogen, alkyl of 1-4 carbon atoms, CF,. and S(O) R5; 3 m B is alkyl of 1-8 carbon atoms, naphthyl, biphenyl, CH. X perfluoroalkyl of 1-8 carbon atoms. - 146 - 234841 phenyl optionally substituted with 1-3 substituents each of which is independently selected from: halogen, alkyl of 1-4 carbon atoms, haloalkyl of 1-4 carbon atoms, alkoxy of 1-4 carbon atoms, and with no more than one group selected from haloalkoxy of 1-4 5 carbon atoms, or S(O) R . m benzyl optionally substituted on the phenyl ring with halogen or alkyl of 1-4 carbon atoms, or optionally a-substituted with 1 or 2 methyl groups, or a heterocycle selected from 2-or 3-thienyl. and 2-.3-.or 4-pyridyl optionally substituted with one or two substituents each of which is independently selected from: halogen, alkyl of 1-4 carSon atoms. CF3 or S(0)mR5; / v n is 0 to 4 with the proviso that when A is -N^ X, N(CH3)2, or OH, then n is other than 0; m at each occurrence is 0, 1 or 2; X is C, NR10, or 0; R and R1 independently are H. alkyl of 1-4 carbon atoms, halogen, or phenyl, or taken together form cycloalkyl of 3-7 carbon atoms; 3 4 R and R independently are H. F. or alkyl of 1-4 carbon atoms; R5 is alkyl of 1-4 carbon atoms; R is phenyl optionally substituted with a total of 1-3 substituents each of which is independently selected from halogen and CF3; with the provisos that (i) a and b are not both phenyl when R, R , R and R4 are hydrogen and n=0; and (ii) that R and R4 are not both F or not b^Lth alkyl. A compound of the formula: CRR1 OH u A(CH-) C. C_ PR3D4
2 n , R (Ila) B T ■*$ - 147 - 234841 wherein A, B, R, R1, R3, R4, and n are as defined in claim 1 (but excluding the proviso that A and B are not both phenyl when R, R1, R3, R4 are H and n=0), and T is Br, Cl or I, with the proviso that R3 and R4 are not both F or not both alkyl.
3. A process for preparing a compound of claim 1 or 2 which comprises: contacting in an inert solvent: a compound of the formula: CRR1 A(CH2)nCM where M is MgX or Li. and X is Cl, Bf or I. with a haloketone of the formula: o B-C-C-X r r where X is Br or Cl and A. B. R. R1. R3. R4 and n are as defined in claim 1 (but excluding the proviso that A and B are not both phenyl when R, R1, R3, R4 are H and n=0).
4. A process for preparing a compound of claim 2 which comprises: contacting in an inert solvent: a compound of the formula: 0 °v " / \ 3 4 a(ch ) c-c cr r 2 n , B with a compound of the formula: (c6h5)3p=crr1 13 4 where A. B. R. R . R , R and n are as defined in claim 1 (but excluding the proviso 13 4 that A and B are not both phenyl when R, R , R , R are H and n=0).
5. A compound as claimed in claim 1 or claim 2 and as specifically identified in this^specification. - 148 -
6. A process for producing a compound as claimed in claim 1 or claim 2 substantially as described in this specification.
7. A compound of formula II or Ila whenever prepared by a process according to any one of claims 3, 4 and 6. E„I. DU PONT DE NEMOURS AND COMPANY
Applications Claiming Priority (3)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US87752586A | 1986-06-23 | 1986-06-23 | |
US4254187A | 1987-04-29 | 1987-04-29 | |
NZ220798A NZ220798A (en) | 1986-06-23 | 1987-06-22 | 1,2,4-triazoles and fungicidal compositions |
Publications (1)
Publication Number | Publication Date |
---|---|
NZ234841A true NZ234841A (en) | 1990-11-27 |
Family
ID=27353568
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
NZ23484187A NZ234841A (en) | 1986-06-23 | 1987-06-22 | Intermediates for preparing antifungal carbinols |
Country Status (1)
Country | Link |
---|---|
NZ (1) | NZ234841A (en) |
-
1987
- 1987-06-22 NZ NZ23484187A patent/NZ234841A/en unknown
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