CS273404B1 - Method of 2-isocyanato-benzonitrile preparation - Google Patents

Method of 2-isocyanato-benzonitrile preparation Download PDF

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Publication number
CS273404B1
CS273404B1 CS773688A CS773688A CS273404B1 CS 273404 B1 CS273404 B1 CS 273404B1 CS 773688 A CS773688 A CS 773688A CS 773688 A CS773688 A CS 773688A CS 273404 B1 CS273404 B1 CS 273404B1
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CS
Czechoslovakia
Prior art keywords
formula
thionyl chloride
synthesis
oxime
isatin
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CS773688A
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Czech (cs)
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CS773688A1 (en
Inventor
Pavel Rndr Csc Pazdera
Eduard Rndr Novacek
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Pazdera Pavel
Novacek Eduard
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Application filed by Pazdera Pavel, Novacek Eduard filed Critical Pazdera Pavel
Priority to CS773688A priority Critical patent/CS273404B1/en
Publication of CS773688A1 publication Critical patent/CS773688A1/en
Publication of CS273404B1 publication Critical patent/CS273404B1/en

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Abstract

The invention concerns a method of production of 2-isocyanate-benzonitrile of formula I by reaction of isatin-3-oxime of formula II with thionyl chloride in excess without the presence of solvent at 55 to 65 degrees C. The substance of formula I is re-crystallized from cyclohexane after distillation off of un-reacted thionyl chloride. The substance of formula I is used for synthesis of 3-substituted 1-(2-cyanphenyl)urea, which has pesticide action, or is used as an intermediate product for synthesis of substituted quinazoline with applications in pharmacology (antimalarial, sedative, antipyretic, antifollicular) and in agriculture (pesticides, growth stimulators).<IMAGE>

Description

Vynález se týká způsobu přípravy 2-isokyanatobenzonitrilu vzorce I.The invention relates to a process for the preparation of 2-isocyanatobenzonitrile of the formula I.

r^VCNr ^ VCN

I (I) I (I)

Látka vzorce I byla doposud připravována reakcí isatin-3-oximu s chloridem fosforečným v bezvodém diethyletheru za laboratorní teploty, z reakčni směsi byla izolována destilací za vakua ve výtěžku 78 % (Borsche W., Sander W., Chem. Ber. 47, 2815 /1914/), respektive v 50 % výtěžku (Breukink K.W., Verkade P.E., Rec. trav. Chim. 79, 450 /1960/), popřípadě reakcí isatin-3-oximu se směsí chlorid fosforečný-fosforoxychlorid - výtěžek reakce neuveden (Schoeter G., Seidler Ch., J. prakt. Chem. 105, 336).To date, the compound of formula I has been prepared by reacting isatin-3-oxime with phosphorus pentachloride in anhydrous diethyl ether at room temperature, and isolated from the reaction mixture by vacuum distillation in 78% yield (Borsche W., Sander W., Chem. Ber. 47, 2815). (1914)), or in 50% yield (Breukink KW, Verkade PE, Rec. Trav. Chim. 79, 450 (1960)), or by reaction of isatin-3-oxime with phosphorus pentachloride-phosphorus oxychloride - reaction yield not shown (Schoeter G., Seidler Ch., J. Prakt. Chem. 105, 336).

Předmětem vynálezu je nový způsob přípravy 2-isokyanatobenzonitrilu vzorce I. Bylo nalezeno, že látku vzorce I lze také připravit reakcí isatin-3-oximu vzorce IIThe present invention provides a novel process for the preparation of 2-isocyanatobenzonitrile of formula I. It has been found that a compound of formula I can also be prepared by reacting an isatin-3-oxime of formula II

-^N-OH s thionylchloridem v nadbytku bez přítomnosti rozpouštědla při teplotě 55 až 65 °C, látka vzorce I je po odpaření nezreagovaného thionylchloridu přečištěna krystalizací z cyklohéxanu.N-OH with thionyl chloride in excess in the absence of solvent at 55-65 ° C, the compound of formula I is purified by crystallization from cyclohexane after evaporation of unreacted thionyl chloride.

2-Isokyanatobenzonitril vzorce I se používá pru syntézy 3-substituovaných l-(2-kyanfenyl)močovin, které mají pesticidní účinky nebo se využívají k syntéze substituovaných chinazolinů s aplikací ve farmakologii (antimalarika, sedativa, antipyretika, antifolika) a v zemědělství (pesticidy, stimulátory růstu).2-Isocyanatobenzonitrile of the formula I is used for the synthesis of 3-substituted 1- (2-cyanophenyl) ureas which have pesticidal effects or are used for the synthesis of substituted quinazolines with application in pharmacology (antimalarials, sedatives, antipyretics, antifolics) and in agriculture (pesticides) growth promoters).

PříkladExample

Ve 100 cm thionylchloridu (164 g, 1,38 mol) bylo suspendováno 30 g (0,19 mol) isatin-3-oximu. Suspenze byla zahřáta na teplotu 55 až 65 °C a ponechána reagovat 60 minut.30 g (0.19 mol) of isatin-3-oxime were suspended in 100 cm @ 3 of thionyl chloride (164 g, 1.38 mol). The suspension was heated to 55-65 ° C and allowed to react for 60 minutes.

Potom byl nezreagovaný thionylchlorid vakuově oddestilován a olejovitý zbytek překrystalován z cyklohexanu.The unreacted thionyl chloride was then distilled off in vacuo and the oily residue was recrystallized from cyclohexane.

Bylo získáno 23 g (94,5 %) 2-isokyanatobenzonitrilu, teplota tání 60 až 61 °C. Bílé krystaly.23 g (94.5%) of 2-isocyanatobenzonitrile were obtained, m.p. 60-61 ° C. White crystals.

' IČ spektrum (KBr tableta)(CN) 2 230,V _ (NCO) 2 290,V c (NCO) 1 455,V (C=C) z-ť* η aS 5IR spectrum (KBr tablet) (CN) 2 230, V (NCO) 2 290, V c (NCO) 1 455, V (C = C) 2-α 5

600, 1 580, Y (CH) 3 040, 3 080 cm .600, 1580, Y (CH) 3040, 3080 cm.

Claims (1)

PŘEDMĚT VYNÁLEZUSUBJECT OF THE INVENTION Způsob přípravy 2-isokyanatobenzonitrilu vzorce I vyznačující se tím, že se ponechá reagovat isatin-3-oxim vzorce II •^>1-jsN-OH (II) s thionylchloridem v nadbytku bez přítomnosti rozpouštědla při teplotě 55 až 65 °C a látka vzorce I je po oddestilováni nezreagovaného thionylchloridu překrystalována z cyklohexanu.A process for the preparation of 2-isocyanatobenzonitrile of the formula I, characterized in that isatin-3-oxime of the formula II is reacted with an excess of thionyl chloride in the absence of a solvent at a temperature of 55 to 65 ° C and a compound of the formula I is recrystallized from cyclohexane after distilling off unreacted thionyl chloride.
CS773688A 1988-11-24 1988-11-24 Method of 2-isocyanato-benzonitrile preparation CS273404B1 (en)

Priority Applications (1)

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CS773688A CS273404B1 (en) 1988-11-24 1988-11-24 Method of 2-isocyanato-benzonitrile preparation

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CS273404B1 true CS273404B1 (en) 1991-03-12

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