DK145100B - METHOD FOR PREPARING 3-SUBSTITUTED CIS-1-HYDROXY-6,6-DIMETHY1-6,6A, 7,8,10,10A-HEXAHYDRO-9H-DIBENZO (B, D-) PYRAN-9-ONER - Google Patents

METHOD FOR PREPARING 3-SUBSTITUTED CIS-1-HYDROXY-6,6-DIMETHY1-6,6A, 7,8,10,10A-HEXAHYDRO-9H-DIBENZO (B, D-) PYRAN-9-ONER Download PDF

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DK145100B
DK145100B DK301377AA DK301377A DK145100B DK 145100 B DK145100 B DK 145100B DK 301377A A DK301377A A DK 301377AA DK 301377 A DK301377 A DK 301377A DK 145100 B DK145100 B DK 145100B
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hydroxy
dibenzo
dimethyl
pyran
hexahydro
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DK301377A (en
DK145100C (en
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C W Ryan
W A Day
E R Lavagnino
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Lilly Co Eli
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    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07DHETEROCYCLIC COMPOUNDS
    • C07D311/00Heterocyclic compounds containing six-membered rings having one oxygen atom as the only hetero atom, condensed with other rings
    • C07D311/02Heterocyclic compounds containing six-membered rings having one oxygen atom as the only hetero atom, condensed with other rings ortho- or peri-condensed with carbocyclic rings or ring systems
    • C07D311/78Ring systems having three or more relevant rings
    • C07D311/80Dibenzopyrans; Hydrogenated dibenzopyrans

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  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Pharmaceuticals Containing Other Organic And Inorganic Compounds (AREA)
  • Pyrane Compounds (AREA)
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Description

(19) DANMARK ( WJ(19) DENMARK (WJ

f\Ra/from/

(12) FREMLÆGGELSESSKRIFT m) 145100 B(12) PRESENTATION M) 145100 B

DIREKTORATET FOR PATENT- OG VAREMÆRKEVÆSENETDIRECTORATE OF THE PATENT AND TRADEMARKET SYSTEM

(21) Ansøgning nr. 3013/77 (51) lnt.CI.3 C 07 D 311/30 (22) Indleveringsdag 5. Jul. 1977 (24) Løbedag 5- Jul. 1977 (41) Aim. tilgængelig 7· Jan, 1978 (44) Fremlagt 30. aug. 1982 (86) International ansøgning nr. - (86) International indleveringsdag (85) Videreførelsesdag - (62) Stamansøgning nr. -(21) Application No. 3013/77 (51) lnt.CI.3 C 07 D 311/30 (22) Filing date 5 Jul. 1977 (24) Race day 5- Jul. 1977 (41) Aim. available 7 · Jan, 1978 (44) Posted 30 Aug 1982 (86) International application # - (86) International filing day (85) Continuation day - (62) Master application no -

(30) Prioritet 6. Jul. 1976, 702806, US 6. Jul. 1976, 702809, US(30) Priority 6 Jul. 1976, 702806, US 6 Jul. 1976, 702809, US

(71) Ansøger ELI LILLY AND COMPANY, Indianapolis, US.(71) Applicant ELI LILLY AND COMPANY, Indianapolis, US.

(72) Opfinder Charles Wilbur Ryan, US: William Allen Uay, US: Ed= ward Ralph Lavagnino, US.(72) Inventor Charles Wilbur Ryan, US: William Allen Uay, US: Ed = ward Ralph Lavagnino, US.

(74) Fuldmægtig Ingeniørfirmaet Hofman-Bang & Bout ard.(74) Associate Engineer Hofman-Bang & Bout ard.

(54) Fremgangsmåde til fremstilling af 3-substituerede cis-1 -hydro= xy-β,6-dimethyl-6,6a,7,8,10,10a-he= xahydro-9H-dibenzo (b, d)py*= ran-9-oner.(54) Process for Preparation of 3-Substituted Cis-1-Hydro = xy-β, 6-dimethyl-6,6a, 7,8,10,10a-he = xahydro-9H-dibenzo (b, d) py * = ran-9-ounces.

Den foreliggende opfindelse angår en særlig fremgangsmåde til fremstilling af kendte 3-substituerede cis-l-hydroxy-6,6-dimethyl“ 6,6a,7,8,10,10a-hexahydro~9H-dibenzo[b,d]pyran-9-oner med den i kravets indledning anførte almene formel I, og fremgangsmåden ifølge opfindelsen er ejendommelig ved, at man omsætter en 5-sub-OQ stitueret resorcinol med den i kravet angivne formel II med en O l-alkoxy-4-(1-hydroxy-1-methylethyl)-1,4-cyclohexadien med den iThe present invention relates to a particular process for the preparation of known 3-substituted cis-1-hydroxy-6,6-dimethyl “6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyranic acid. 9-ounces of the general formula I set forth in the preamble of the claim, and the process of the invention is characterized by reacting a 5-sub-OQ-substituted resorcinol with the formula II as claimed in the claim with an O1-alkoxy-4- (1). -hydroxy-1-methylethyl) -1,4-cyclohexadiene with the i

CDCD

^ kravet angivne formel III i nærværelse af en katalysator valgt ^ blandt bortribromid, bortrifluorid og stannichlorid i et organisk -3· y— opløsningsmiddel.Formula III, in the presence of a catalyst selected from boron tribromide, boron trifluoride and stannous chloride in an organic -3 · y solvent.

* Q En mange-trins fremstilling af 1-hydroxy-3-substitueret-6,6-di- methyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-oner er beskrevet af Fahrenholtz, Lurie and Eierstad, J. Am. Chem.* Q A multi-step preparation of 1-hydroxy-3-substituted-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyran-9- oner is described by Fahrenholtz, Lurie and Eierstad, J. Am. Chem.

Soc., 88, 2079 (1966), 8^, 5934 (1967). Syntesen omfatter om- 2 1 AS 100 sætning af en 5-substitueret resorcinol med diethyl-a-acetylglu-tarat til opnåelse af det tilsvarende ethyl-4-methyl-5-hydroxy- 7-substituerede coumarin-3-propionat, der cycliseres med et metal-hydrid til opnåelse af en tilsvarende 1-hydroxy-3-substitueret 6,7,8,10-tetrahydro-9H-dibenzo[b,d]pyran-6,9-dion. 9-keton-grup-pen beskyttes herefter ved ketaldannelse, og behandling af keta-len med methylmagnesiumbromid efterfulgt af de-ketalisering giver en tilsvarende 3-substitueret l-hydroxy-6,6-dimethyl-6,6a,7,8-te-trahydro-9H-dibenzo[b,d]pyran-9-on. Reduktion af ^O(lOa)„dobbeltbindingen giver hovedsagelig en tilsvarende 3-substitueret d,l-6a ,10a-trans-l-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexa-hydro-9H-dibenzo[b,d]pyran-9-on og kun små mængder af den tilsvarende d,l-6a,10a-cis-isomere.Soc., 88, 2079 (1966), 8, 5934 (1967). The synthesis comprises about 2 L of AS 100 reaction of a 5-substituted resorcinol with diethyl α-acetylglucerate to give the corresponding ethyl 4-methyl-5-hydroxy-7-substituted coumarin-3-propionate cyclized with a metal hydride to give a corresponding 1-hydroxy-3-substituted 6,7,8,10-tetrahydro-9H-dibenzo [b, d] pyran-6,9-dione. The 9-ketone group is then protected by ketone formation and treatment of the ketalen with methylmagnesium bromide followed by de-ketalization gives a corresponding 3-substituted 1-hydroxy-6,6-dimethyl-6,6a, 7,8-te -trahydro-9H-dibenzo [b, d] pyran-9-one. Reduction of the O (10a) double bond gives essentially a corresponding 3-substituted d, 1-6a, 10a-trans-1-hydroxy-6,6-dimethyl-6,6a, 7,8,10,10a-hexa. hydro-9H-dibenzo [b, d] pyran-9-one and only small amounts of the corresponding d, 1-6a, 10a-cis isomers.

Selv om 3-Substituerede 6a,10a-cis-l-hydroxy-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-oner er pharmakologisk aktive, er deres aktivitet mindre end den tilsvarende aktivitet af transderivaterne. Cis-forbindelserne, der ved fremgangsmåden ifølge opfindelsen kan fremstilles på simpel måde i ét trin, er imidlertid nyttige som mellemprodukter til fremstilling af de pharmakologisk mere aktive tilsvarende trans-isomere. Man har nu opdaget, at for eksempel omsætning af en d, 1-cis-dibenzo[b,d]-pyran-9-on med aluminiumchlorid eller aluminium-bromid i et opløsningsmiddel, såsom dichlormethan, giver fuldstændig isomerisering til opnåelse af den tilsvarende d,l-trans-forbindelse. Sådanne 3-substituerede d,l-6a,10a-trans-l-hydroxy-6,6-dimethyl-6,6a,7,8,-10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-oner, der har vist sig at være effektive ved behandling af angst og depression, er beskrevet for eksempel i USA-patentskrifterne nr. 3 928 598, 3 944 673 og 3 953 603.Although 3-Substituted 6a, 10a-cis-1-hydroxy-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyran-9-ones are pharmacologically active, their activity is less than the corresponding activity of the trans-derivatives. However, the cis compounds which can be prepared in one step in the simple process of the invention are useful as intermediates for preparing the pharmacologically more active corresponding trans isomers. It has now been found that, for example, reacting a d, 1-cis-dibenzo [b, d] -pyran-9-one with aluminum chloride or aluminum bromide in a solvent such as dichloromethane gives complete isomerization to give the corresponding d, l-trans-compound. Such 3-substituted d, 1-6a, 10a-trans-1-hydroxy-6,6-dimethyl-6,6a, 7,8, -10,10a-hexahydro-9H-dibenzo [b, d] pyran-9 -ones that have been shown to be effective in the treatment of anxiety and depression are described, for example, in U.S. Patent Nos. 3,928,598, 3,944,673, and 3,953,603.

Ved en foretrukken udførelsesform for fremgangsmåden ifølge opfindelsen indeholder reaktionsblandingen en mængde vand. Det foretrækkes især at tilsætte reaktionsblandingen 1 mol vand for hvert mol forbindelse med formel I, der skal dannes.In a preferred embodiment of the process according to the invention, the reaction mixture contains an amount of water. In particular, it is preferred to add the reaction mixture 1 mole of water for each mole of compound of formula I to be formed.

Ifølge opfindelsen er der som nævnt tilvejebragt en bekvem fremgangsmåde til fremstilling af 6a,10a-cis-hexahydro-dibenzo-[b,d]pyran-9-oner, der som nævnt på simpel måde kan omdannes til de tilsvarende trans-isomere. Udtrykket 6a,10a-cis refererer til den relative orientering af hydrogenatomerne knyttet til 6a- og 3 145100 lOa-stillingerne i de omhandlede forbindelser. Når således en for-, bindelse betegnes som 6a,10a-cis, er det en forbindelse, hvori hydrogenatomerne knyttet til 6a- og 10a-stillingerne er orienteret på samme side af molekylplanet. Det er klart, at to isomere er omfattet af 6a,10a-cis-betegnelsen. Når både 6a- og 10a-hy-drogenatomet er orienteret over molekylplanet, betegnes deres konfiguration med 6ap og 10ap. Når både 6a- og lOa-hydrogenatomet er orienteret under planet, betegnes de som 6aa og 10aa.According to the invention, as mentioned, a convenient process is provided for the preparation of 6a, 10a-cis-hexahydro-dibenzo [b, d] pyran-9-ones which, as mentioned, can be readily converted to the corresponding trans isomers. The term 6a, 10a-cis refers to the relative orientation of the hydrogen atoms attached to the 6a and 3,100,110 positions of the compounds of the invention. Thus, when a compound is referred to as 6a, 10a-cis, it is a compound in which the hydrogen atoms attached to the 6a and 10a positions are oriented on the same side of the molecular plane. Obviously, two isomers are included in the 6a, 10a-cis designation. When both the 6a and 10a hydrogen atoms are oriented above the molecular plane, their configuration is denoted by 6ap and 10ap. When both the 6a and 10a hydrogen atoms are oriented below the plane, they are referred to as 6aa and 10aa.

Den absolutte konfiguration af 6a- og 10a-hydrogenatomerne vil herefter ikke blive angivet, men det må forstås, at udtrykket 6a,-10a-cis omfatter såvel de adskilte spejlbilledisomere af forbindelsen med ovennævnte formel som en blanding af sådanne spejlbil-led-isomere. For eksempel omfatter en 6a,10a-cis-forbindelse fremstillet ved fremgangsmåden ifølge opfindelsen både 6aoc,10aa-iso-meren og 6aP,lC^-isomeren eller en blanding af disse spejlbilled-isomere. En sådan blanding af spejlbilled-isomere vil på normal måde blive betegnet som en d,l-blanding.The absolute configuration of the 6a and 10a hydrogen atoms will then not be stated, but it should be understood that the term 6a, -10a-cis includes both the separate mirror image isomers of the compound of the above formula as well as a mixture of such mirror image link isomers. For example, a 6a, 10a-cis compound prepared by the process of the invention comprises both the 6aoc, 10aa isomer and 6aP, 1C2 isomer, or a mixture of these mirror image isomers. Such a mixture of mirror image isomers will normally be referred to as a d, 1 mixture.

Produktet fremstillet ved fremgangsmåden ifølge opfindelsen er i det væsentlige kun 6a,10a-cis-isomeren af en 3-substitueret l-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-on, selv om små mængder af størrelsesordenen 5-15 vægtprocent af den tilsvarende 6a,10a-trans-isomere generelt kan spores. Oprensning af en sådan blanding til fjernelse af trans-isomerene er unødvendig, idet hovedproduktet, nemlig cis-hexa-hydrodibenzopyranon, generelt omdannes til den rene trans-isomer ved behandling med et aluminiumhalogenid som beskrevet i detaljer nedenfor.The product prepared by the process of the invention is essentially only the 6a, 10a-cis isomer of a 3-substituted 1-hydroxy-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] -pyran-9-one, although small amounts of the order of 5-15% by weight of the corresponding 6a, 10a trans isomers are generally detectable. Purification of such a mixture to remove the trans isomers is unnecessary as the main product, namely cis-hexa-hydrodibenzopyranone, is generally converted to the pure trans isomer by treatment with an aluminum halide as described in detail below.

Ved fremgangsmåden ifølge opfindelsen fremstilles en 3-substitueret 6a, 10a-cis-l-hydroxy-6,6-dimethyl-6,6a.,.7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on ved fortrinsvis at omsætte en ækvimolær mængde af en tilsvarende l-alkoxy-4-(l-hydroxy-l-methylethyl)-l,4-cyclohexadien og en tilsvarende 5-substitueret resorcinol i nærværelse af en katalysator valgt blandt bortribromid, bortrifluorid ' og stannichlorid.In the process of the invention, a 3-substituted 6a, 10a-cis-1-hydroxy-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyran is prepared. -9-one by preferably reacting an equimolar amount of a corresponding 1-alkoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene and a corresponding 5-substituted resorcinol in the presence of a catalyst selected from boron tribromide , boron trifluoride and stannous chloride.

Substituenten i 5-stillingen i resorcinolen og i 3-stillingen i produktet med formel I er den samme gruppe og betegnes ved symbolet R. R er defineret som en alkylgruppe med 5-10 carbonatomer og omfatter grupper, såsom 1,1-dimethylpentyl, n-pentyl, isohexyl, 4 145100 n-hexyl, 1-methylh.exyl, l-ethyl-2-methylhexyl, 1,2-dimethylheptyl, 1,1-dimethylheptyl, n-octyl, 1,2,3-trimethylheptyl, 1-methylnonyl, n-decyl, 1,1-dimethyloctyl og 1-ethyl-1-methylhexyl. Desuden kan R være en alkenylgruppe med 5-10 carbonatomer, og eksempler herpå er 2-hexenyl, 3-heptenyl, 1-methyl-1-heptenyl, 1,2-dimethyl-1-heptenyl, 3-octenyl, 1-ethyl~2-octenyl, 1,1-dimethyl-3-octenyl, 3-methyl-2-butenyl, 1-pentenyl, 1,2-dlmethyl-1-hexenyl, 1-ethyl-2-heptenyl, l,l-dimethyl-2-octenyl, 3-nonenyl og 1-methyl-l-nonenyl ·The substituent at the 5-position of the resorcinol and at the 3-position of the product of formula I is the same group and is denoted by the symbol R. R is defined as an alkyl group of 5-10 carbon atoms and comprises groups such as 1,1-dimethylpentyl, n -pentyl, isohexyl, 4,100,100 n-hexyl, 1-methylhexyl, 1-ethyl-2-methylhexyl, 1,2-dimethylheptyl, 1,1-dimethylheptyl, n-octyl, 1,2,3-trimethylheptyl, 1 -methylnonyl, n-decyl, 1,1-dimethyloctyl and 1-ethyl-1-methylhexyl. In addition, R may be an alkenyl group having 5-10 carbon atoms, examples of which are 2-hexenyl, 3-heptenyl, 1-methyl-1-heptenyl, 1,2-dimethyl-1-heptenyl, 3-octenyl, 1-ethyl 2-octenyl, 1,1-dimethyl-3-octenyl, 3-methyl-2-butenyl, 1-pentenyl, 1,2-dimethyl-1-hexenyl, 1-ethyl-2-heptenyl, 1,1-dimethyl 2-octenyl, 3-nonenyl and 1-methyl-1-nonenyl ·

Desuden kan R være en cycloalkylgruppe med 5-8 carbonatomer eller en cycloalkenylgruppe med 5-8 carbonatomer. Typiske cycloalkylgrup-per omfatter cyclopentyl, cyclohexyl og cyclooctyl, mecens cyclo-alkenylgrupper omfatter 1-cyclopentenyl, 1-cyclohexenyl, 2-cyclo-heptenyl og 1-cyclooctenyl.In addition, R may be a cycloalkyl group having 5-8 carbon atoms or a cycloalkenyl group having 5-8 carbon atoms. Typical cycloalkyl groups include cyclopentyl, cyclohexyl and cyclooctyl, while the cycloalkenyl groups of the group include 1-cyclopentenyl, 1-cyclohexenyl, 2-cyclo-heptenyl and 1-cyclooctenyl.

8om anført tidligere omsættes en 5-substitueret resorcinol med en 1- alkoxy-4-(l-hydroxy-l-methylethyl)-l,4-cyclohexadien i fortrinsvis ækvimolære mængder. Om ønsket kan den 5-substituerede resorcinol anvendes i overskud fra 0,1 til 2 molær i forhold til den molære mængde.As previously stated, a 5-substituted resorcinol is reacted with a 1- alkoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene in preferably equimolar amounts. If desired, the 5-substituted resorcinol can be used in excess of 0.1 to 2 molar to the molar amount.

Reaktionen udføres som nævnt i nærværelse af en katalysator valgt blandt bortribromid, bortrifluorid og stannichlorid. Bortrifluo-rid anvendes typisk som diethyletherat, medens stannichlorid er en foretrukken katalysator. Katalysatormængden, der anvendes, er normalt en ækvimolær mængde eller et lille overskud i forhold til den molære mængde. Por eksempel kan der anvendes et molært overskud på 0,1 - 5 mol. Imidlertid kan større overskud anvendes om ønsket.The reaction is carried out as mentioned in the presence of a catalyst selected from boron tribromide, boron trifluoride and stannous chloride. Boron trifluoride is typically used as diethyl etherate, while stannous chloride is a preferred catalyst. The amount of catalyst used is usually an equimolar amount or a small excess relative to the molar amount. For example, a molar excess of 0.1 - 5 mol can be used. However, larger profits can be used if desired.

Reaktionen udføres i et organisk opløsningsmiddel, og det særlige opløsningsmiddel, der anvendes, er ikke kritisk for processen. Eksempler på opløsningsmidler, der kan anvendes, omfatter halogenerede alifatiske carbonhydrider, såsom dichlormethan, chloroform, 1,1-dichlorethan, 1,2-dichlorethan, brommethan, 1,2-di-bromethan, i-brom-2-chlorethan, 1-brompropan, 1,1-dibromethan, 2- chlorpropan eller 1-iodpropan; aromatiske opløsningsmidler, såsom benzen, chlorbenzen, brombenzen, 1,2-di-chlorbenzen, nitrobenzen, toluen og xylen; og ethere, såsom di-ethylether, methylethylether, dimethylether og diisopropylether. Foretrukne opløsningsmidler omfatter halogenerede alifatiske car-bonhydrider, især dichlormethan, og aromatiske opløsningsmidler, 5 14.5100 især benzen.The reaction is carried out in an organic solvent and the particular solvent used is not critical to the process. Examples of solvents which may be used include halogenated aliphatic hydrocarbons such as dichloromethane, chloroform, 1,1-dichloroethane, 1,2-dichloroethane, bromomethane, 1,2-di-bromoethane, i-bromo-2-chloroethane, 1- bromopropane, 1,1-dibromoethane, 2-chloropropane or 1-iodopropane; aromatic solvents such as benzene, chlorobenzene, bromobenzene, 1,2-dichlorobenzene, nitrobenzene, toluene and xylene; and ethers such as diethyl ether, methyl ethyl ether, dimethyl ether and diisopropyl ether. Preferred solvents include halogenated aliphatic hydrocarbons, especially dichloromethane, and aromatic solvents, especially benzene.

Fremgangsmåden ifølge opfindelsen ^an udføres ved enhver temperatur fra -30 til 100° C og udføres bekvemt ved -10 - +40° C og helst ved fra 0 til 25° C. Et andet foretrukkent temperaturområde er -20 til 100° C. Reaktionen udføres normalt på 0,5-8 timer. Imidlertid er længere reaktionstider ikke ødelæggende for fremgangsmåden og kan anvendes om ønsket.The process of the invention is carried out at any temperature from -30 to 100 ° C and conveniently carried out at -10 - + 40 ° C and most preferably at from 0 to 25 ° C. Another preferred temperature range is -20 to 100 ° C. is usually performed in 0.5-8 hours. However, longer reaction times are not detrimental to the process and can be used if desired.

Vand er en foretrukken konstituent i reaktionsblandingen. Det har vist sig, at udbyttet af produktet med formel I ligger 20 - 25 pct. højere, når vand er til stede i reaktionsblandingen. En ækvimolær mængde vand, baseret på mængden af reaktanter og den forventede mængde produkt, skal anvendes for opnåelse af de bedste resultater. Større mængder vand, såsom et 0,1 - 1 molært overskud, kan anvendes om ønsket.Water is a preferred constituent of the reaction mixture. It has been found that the yield of the product of formula I is 20-25 per cent. higher when water is present in the reaction mixture. An equimolar amount of water, based on the amount of reactants and the expected amount of product, must be used to obtain the best results. Larger amounts of water, such as a 0.1 to 1 molar excess, can be used if desired.

Produktet med formel I isoleres let ved simpel vask af reaktionsblandingen med vandig syre, såsom vandig saltsyre eller vandig svovlsyre, eller med vandig base eller med begge dele efter hinanden og derefter med vand. Afdampning af reaktionsopløsningsmidlet giver herefter den ønskede 6a,10a-cis-dibenzo[b,d]pyranon med formel I, der om ønsket kan oprenses yderligere ved standardmetoder, såsom kromatografi eller krystallisation fra opløsningsmidler, såsom hexan og cyclohexan.The product of formula I is readily isolated by simple washing of the reaction mixture with aqueous acid, such as aqueous hydrochloric acid or aqueous sulfuric acid, or with aqueous base or with both successively and then with water. Evaporation of the reaction solvent then yields the desired 6a, 10a-cis-dibenzo [b, d] pyranone of formula I, which can be further purified, if desired, by standard methods such as chromatography or crystallization from solvents such as hexane and cyclohexane.

5-substituerede resorcinoler, der er nødvendige udgangsmaterialer ved den omhandlede fremgangsmåde, er let tilgængelige; se Adams et al., J. Am. Chem. Soc. JO, 664 (1948). l-alkoxy-4-(l-hydroxy-1-methylethyl)-l,4-cyclohexadieneme kan let fremstilles fra kommercielt tilgængelige tilsvarende p-alkoxyacetophenoner. For eksempel omsættes en tilsvarende p-alkoxyacetophenon med methylmagnesium-bromid til opnåelse af en tilsvarende l-alkoxy-4-(l-hydroxy-l-methylethyl)benzen. Reduktion af sidstnævnte ved reaktion med lithium i flydende ammoniak giver den ønskede tilsvarende 1-alkoxy- 4-(l-hydroxy-l-methylethyl)-l,4-cyclohexadien i højt udbytte. En sådan fremstilling er beskrevet mere i detaljer af Irihoffen et al., Ann. 6^4, 28-35 (1964).5-substituted resorcinols, which are necessary starting materials of the present process, are readily available; see Adams et al., J. Am. Chem. Soc. JO, 664 (1948). The 1-alkoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene can be readily prepared from commercially available corresponding β-alkoxyacetophenones. For example, a corresponding p-alkoxyacetophenone is reacted with methyl magnesium bromide to give a corresponding 1-alkoxy-4- (1-hydroxy-1-methylethyl) benzene. Reduction of the latter by reaction with lithium in liquid ammonia gives the desired corresponding 1-alkoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene in high yield. Such a preparation is described in more detail by Irihoffen et al., Ann. 6, 4, 28-35 (1964).

Som anført tidligere er 3-substituerede 6a,10a-cis-l-hydroxy- 6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-oner 6 145.100 med formel I pharmakologisk aktive og er endvidere nyttige som mellemprodukter ved fremstilling af antiangst- og antidepressions-midler. For eksempel kan d,l-6a,10a-cis-l-hydroxy-3-(l,1-dimethyl-heptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d ]py-ran-9-on omsættes med aluminiumchlorid i dichlormethan under opnåelse af fuldstændig isomerisering til dannelse af det tilsvarende d,l-6a,10a-trans-derivat, nemlig d,l-6a,10a-trans-l-hydro-xy-3-(1,1,-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexa-hydro-9H-dibenzo[b,d]pyran-9-on. Sidstnævnte forbindelse er særlig effektiv ved behandling af mennesker, der lider af angst og/eller depression, når produktet indgives i en daglig dosis på 0,1 til 100 mg.As previously stated, 3-substituted 6a, 10a-cis-1-hydroxy-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyran-9-ones 6 145,100 of formula I are pharmacologically active and are also useful as intermediates in the preparation of anti-anxiety and antidepressants. For example, d, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethyl-heptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H -dibenzo [b, d] pyran-9-one is reacted with aluminum chloride in dichloromethane to give complete isomerization to give the corresponding d, l-6a, 10a trans-derivative, namely d, l-6a, 10a trans-l-hydro xy-3- (1,1 -dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexa hydro-9H-dibenzo [b, d] pyran -9-one. The latter compound is particularly effective in treating people suffering from anxiety and / or depression when the product is administered at a daily dose of 0.1 to 100 mg.

Følgende eksempler illustrerer nærmere fremgangsmåden ifølge opfindelsen, og præparation 1 illustrerer fremstillingen af en l-alkoxy-4-(l-hydroxy-l-methylethyl)l,4-cyclohexadien, mens præparation 2 og 3 illustrerer omdannelsen af d,l-6a,10a-cis-forbindelserne til de tilsvarende trans-isomere.The following examples further illustrate the process of the invention, and Preparation 1 illustrates the preparation of a 1-alkoxy-4- (1-hydroxy-1-methylethyl) 1,4-cyclohexadiene, while Preparations 2 and 3 illustrate the conversion of d, 1-6a. 10a-cis compounds to the corresponding trans isomers.

PRÆPARATION 1 1-Methox2~4-(1-hydroxy-1-methylethyl)-1,4-cyclohexadienPREPARATION 1 1-Methox2 ~ 4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene

En opløsning af 33,2 g 1-methoxy-4-(l-hydroxy-1-methylethyl)-benzen opløst i 500 ml ethylalkohol sattes dråbevis i løbet af 1 time til en omrørt opløsning af 800 ml flydende ammoniak indeholdende 14,0 g lithiummetalspåner og 200 ml tetrahydrofuran. Efter fuldstændig tilsætning af l-methoxy-4-(l-hydroxy-l-methylethyl)-benzenen til reaktionsblandingen omrørtes blandingen i 15 minutter. Reaktionsblandingen fortyndedes med ethylalkohol og udhældtes over 1000 g knust is. Een vandige reaktionsblanding ekstraheredes herefter med diethylether. Etherekstrakterne blandedes, vaskedes med mættet vandig ammoniumsulfatopløsning og med vand og tørredes. Fjernelse af opløsningsmidlet gav en olie, der destilleredes til opnåelse af 22 g l-methoxy-4-(l-hydroxy-l-methylethyl)-1,4-cyclohexadien. Kp.: 85-90° C ved 0,3 torr.A solution of 33.2 g of 1-methoxy-4- (1-hydroxy-1-methylethyl) benzene dissolved in 500 ml of ethyl alcohol was added dropwise over 1 hour to a stirred solution of 800 ml of liquid ammonia containing 14.0 g lithium metal shavings and 200 ml of tetrahydrofuran. After complete addition of the 1-methoxy-4- (1-hydroxy-1-methylethyl) benzene to the reaction mixture, the mixture was stirred for 15 minutes. The reaction mixture was diluted with ethyl alcohol and poured over 1000 g of crushed ice. An aqueous reaction mixture was then extracted with diethyl ether. The ether extracts were mixed, washed with saturated aqueous ammonium sulfate solution and with water and dried. Removal of the solvent gave an oil distilled to give 22 g of 1-methoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene. Bp: 85-90 ° C at 0.3 torr.

EKSEMPEL 1 ^iil§§il2§l2iSliliiZ^r95Zi3i(lilzdimethYlheptyl)=6i62d.imethYl-Fem ml af en kommerciel opløsning af bortrifluorid-diethyletherat 7 145100 sattes i en portion til en omrørt opløsning af 504 mg l-methoxy-4-(l-hydroxy-l-methylethyl)-l,4-cyclohexadien og 708 mg 5-(1,1-dimethylheptyl)-resorcinol opløst i 25 ml benzen. Reaktionsblandingen omrørtes ved 25°C i 5 timer og tilsattes herefter 75 ml 6N saltsyreopløsning. Benzenen blev fjernet fra blandingen ved afdampning, og den sure opløsning ekstraheredes derefter adskillige gange med diethylether. Etherekstrakteme kombineredes, vaskedes med vand og med en vandig opløsning af natriumbicarbonat og tørredes. Fjernelse af opløsningsmidlet ved afdampning under reduceret tryk gav produktet som et fast stof, der omkrystalliseredes fra hexan til opnåelse af 365 mg dl-6a,10a-cis-1-hydroxy-3-(1,1-dimethylheptyl)- 6,6-dimethyl-6,6a,7,8,10,1Qa-hexahydro-9H-dibenzo[b,d]pyran-9-on.EXAMPLE 1 ^ lil§§il2§l2iSliliiZ ^ r95Zi3i (lilzdimethylheptyl) = 6i62d.imethyl-Five ml of a commercial solution of boron trifluoride diethyl etherate 7 145100 was added in one portion to a stirred solution of 504 mg of 1-methoxy-4 -hydroxy-1-methylethyl) -1,4-cyclohexadiene and 708 mg of 5- (1,1-dimethylheptyl) -resorcinol dissolved in 25 ml of benzene. The reaction mixture was stirred at 25 ° C for 5 hours and then 75 ml of 6N hydrochloric acid solution was added. The benzene was removed from the mixture by evaporation and the acidic solution was then extracted several times with diethyl ether. The ether extracts were combined, washed with water and with an aqueous solution of sodium bicarbonate and dried. Removal of the solvent by evaporation under reduced pressure gave the product as a solid which was recrystallized from hexane to give 365 mg of dl-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) - 6.6 dimethyl-6,6a, 7,8,10,1Qa-hexahydro-9H-dibenzo [b, d] pyran-9-one.

Smp.: 153-158°C.Mp: 153-158 ° C.

EKSEMPEL 2 d1l-6ail10a-cis-l-Hydroxy-5-n-pentyl-6A6-djÆethyl-6t6aI7itQi,lQi.l0g-r hexahydro-9H-dibenzo[b^d]pyran-9-onEXAMPLE 2 d1l-6ail10a-cis-1-Hydroxy-5-n-pentyl-6A6-diethyl-6t6a7itQi, 1Qi.l0g-r hexahydro-9H-dibenzo [b ^ d] pyran-9-one

En opløsning af 2,66 g 1-methoxy-4-(1-hydroxy-1-methylethyl)-1,4-cyclohexadien og 2,9 g 5-(n-pentyl)resorcinol opløst i 110 ml dichlormethan blev omrørt og afkølet til -5°C, medens 4,2 ml stan-nichlorid blev dråbevis sat til blandingen i løbet af 5 minutter. Temperaturen af reaktionsblandingen blev forøget fra -5 til 2°C under tilsætning af stannichlorid. Efter at stannichloridet var tilsat, opvarmedes reaktionsblandingen til cirka 24°C og om-rørtes ved denne temperatur i 7 timer. Reaktionsblandingen vaskedes herefter med vand og med 1N natriumhydroxidopløsning og tørredes. Fjernelse af opløsningsmidlet ved afdampning under reduceret tryk gav en olie, der krystalliseredes fra 10 ml n-hexan til opnåelse af 450 mg dl-6a,10a-cis-1-hydroxy-3-n-pentyl-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on. Smp.: 120-134°C.A solution of 2.66 g of 1-methoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene and 2.9 g of 5- (n-pentyl) resorcinol dissolved in 110 ml of dichloromethane was stirred and cooled. to -5 ° C, while 4.2 ml of stannous chloride was added dropwise to the mixture over 5 minutes. The temperature of the reaction mixture was increased from -5 to 2 ° C with the addition of stannous chloride. After the stannous chloride was added, the reaction mixture was heated to about 24 ° C and stirred at this temperature for 7 hours. The reaction mixture was then washed with water and with 1N sodium hydroxide solution and dried. Removal of the solvent by evaporation under reduced pressure gave an oil which crystallized from 10 ml of n-hexane to give 450 mg of dl-6a, 10a-cis-1-hydroxy-3-n-pentyl-6,6-dimethyl-6 , 6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyran-9-one. Mp: 120-134 ° C.

EKSEMPEL 3 §2§22Zi§ii92i9§lii®22tY^r2l25zdibenzoi[bidi]pyran-9-onEXAMPLE 3 §2§22Zi§ii92i9§lii®22tY ^ r2l25zdibenzoi [bidi] pyran-9-one

Ved at følge den generelle fremgangsmåde i eksempel 1 omsattes 11,8 g 5-(1,1-dimethylheptyl)resorcinol med 10 g l-methoxy-4-(l- 8 1A 5100 hydroxy-l-methylethyl)-l,4-cyclohexadien i 200 ml cyclohexan-stabiliseret dichiormethan i nærværelse af 13 ml stannichlorid. Reaktanterne opløstes i dichlormethan og afkøledes til 5°C før dråbevis tilsætning af stannichlorid. Blandingen opvarmedes til stuetemperatur, medens der omrørtes i 7 timer. Produktet oparbejdedes ved tilsætning af 200 ml vand til reaktionsblandingen, omrøring og separering af faserne. Den organiske fase vaskedes med vand, med 2N saltsyre, med vand og to gange med 1N natriumhydroxid og endelig to gange med vand. Den organiske opløsning tørredes over magnesiumsulfat og inddampedes til tørhed. Remanensen omkrystalliseredes fra hexan til opnåelse af 11,0 g d,l-6a,10a-cis-l-hydroxy- 3-(l,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on, der ved tyndtlagskromatografi blev vist at være identisk med produktet i eksempel 1.Following the general procedure of Example 1, 11.8 g of 5- (1,1-dimethylheptyl) resorcinol was reacted with 10 g of 1-methoxy-4- (1-8-1A 5100 hydroxy-1-methylethyl) -1,4 cyclohexadiene in 200 ml of cyclohexane-stabilized dichloromethane in the presence of 13 ml of stannous chloride. The reactants were dissolved in dichloromethane and cooled to 5 ° C before the dropwise addition of stannous chloride. The mixture was warmed to room temperature while stirring for 7 hours. The product was worked up by adding 200 ml of water to the reaction mixture, stirring and separating the phases. The organic phase was washed with water, with 2N hydrochloric acid, with water and twice with 1N sodium hydroxide and finally twice with water. The organic solution was dried over magnesium sulfate and evaporated to dryness. The residue was recrystallized from hexane to give 11.0 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10, 10a-hexahydro-9H-dibenzo [b, d] pyran-9-one, which by thin layer chromatography was shown to be identical to the product of Example 1.

EKSEMPEL 4 Éill§SilQåz£iSlll5l^i!2iSz2liiilrdimethylhe£tyl)=6i6-dimethYl3 §2§aiZi8i.l2Al22:l!i£5§i2:ZÉi2=2§Z^i5enzo[_bid]£yran-9-on fremgangsmåden i eksempel 3 blev fulgt, dog afkøledes blandingen til -10°C før tilsætning af stannichlorid, og der omrørtes i 7 timer efter tilsætningen, medens temperaturen blev holdt mellem 0 og 5°0. Produktet var 11,2 g dl-6a,10a-cis-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl,6,6a,7,8,10,10a-hexahydro-9H-dibenzo-[b,d]pyran-9-on, der ved hjælp af tyndtlagskromatografi blev fundet at være identisk med produktet i eksempel 1.EXAMPLE 4 Eil§SilQaZ £ iSlll5l ^ i2iSz2liiilrdimethylhe £ tyl) = 6i6-dimethylYl3 §2§aiZi8i.l2Al22: ll £ 5§i2: ZÉi2 = 2§Z ^ i5enzo [_bid] £ yran-9-one method Example 3 was followed, however, the mixture was cooled to -10 ° C before the addition of stannous chloride and stirred for 7 hours after the addition while maintaining the temperature between 0 and 5 ° 0. The product was 11.2 g of dl-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl, 6.6a, 7,8,10,10a-hexahydro-9 dibenzo- [b, d] pyran-9-one, which was found to be identical to the product of Example 1 by thin layer chromatography.

EKSEMPEL 5 d^l-Sa^^a-cis-l-Hydroxy^iClil^dimethylheptyll-e^e-dimethYl^ 6^68,^7^8^10,70a-hegahydro-9H-dibengo^b,d}pyran-9-on fremgangsmåden i eksempel 3 blev gentaget igen, dog sattes stannichlorid til, medens reaktionsblandingens temperatur var 5°C, og blandingen omrørtes ved tilbagesvalingstemperaturen i 7 timer efter tilsætningen af stannichlorid. Produktet var 9,9 g d,l-6a,10a-cis 1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethy1-6,6a,7,8,10,10a-hexahydro-9H-dibenzoub,d]pyran-9-on, der ved hjælp af tyndtlagskromatografi blev fundet at være det samme som produktet i eksempel 1.EXAMPLE 5 d ^ l-Sa ^^ a-cis-l-Hydroxy ^ iClil ^ dimethylheptyll-e ^ e-dimethyl ^ 6 ^ 68, ^ 7 ^ 8 ^ 10.70a-hegahydro-9H-dibengo ^ b, d} The pyran-9-one procedure of Example 3 was repeated again, however, stannous chloride was added while the temperature of the reaction mixture was 5 ° C and the mixture was stirred at reflux temperature for 7 hours after the addition of stannous chloride. The product was 9.9 gd, 1-6a, 10a-cis 1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H dibenzoub, d] pyran-9-one, found by thin layer chromatography to be the same as the product of Example 1.

9 145100 EKSEMPEL 6 2a2§aZa§a12.i. 1 ^a-hexah^dr o^ØH-dibenzo^b^d.Jg^i^zSzO119 145100 EXAMPLE 6 2a2§aZa§a12.i. 1 ^ a-hexah ^ dr o ^ EH-dibenzo ^ b ^ d.Jg ^ i ^ zSzO11

Ved at følge den generelle metode i eksempel 1 omsattes 4»72 g 5-(1,1-dimethylheptyl)resorcinol med 4,32 g 1-ethoxy-4-(l-hydroxy- 1-methylethyl)-1,4-cyclohexadien i 100 ml cyclohexan-stabiliseret dichlormethan. Reaktanterne opløstes i dichlormethanen og afkøledes til 0°C før dråbevis tilsætning af 6 ml stannichlorid. Blandingen omrørtes ved 5°C i 6 timer, og reaktionsblandingen oparbejdedes som beskrevet i eksempel 3. Remanensen opslæmmedes i 25 ml varm hexan, afkøledes,og det opsamlede bundfald identificeredes som 3,65 g d,l-6a,10a-cis-l-hydroxy-3-(l,l-dimethylheptyl)- 6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H~dibenzo[b,d]pyran-9-on, der ved tyndtlagskromatografi blev identificeret som værende identisk med produktet i eksempel 1.Following the general method of Example 1, 4 »72 g of 5- (1,1-dimethylheptyl) resorcinol was reacted with 4.32 g of 1-ethoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene in 100 ml of cyclohexane-stabilized dichloromethane. The reactants were dissolved in the dichloromethane and cooled to 0 ° C before the dropwise addition of 6 ml of stannous chloride. The mixture was stirred at 5 ° C for 6 hours and the reaction mixture worked up as described in Example 3. The residue was slurried in 25 ml of hot hexane, cooled, and the collected precipitate was identified as 3.65 gd, 1-6a, 10a-cis-1- hydroxy-3- (1,1-dimethylheptyl) - 6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d] pyran-9-one which was obtained by thin layer chromatography identified as being identical to the product of Example 1.

EKSEMPEL 7 ^Alr§§ii2§l2is=l=Hydro^“3r(lil-dimethylh.eptyl2-6_16-dimethyl= 6i6aA7i8 z 10^ J.Oa-hexah^dro-9H-dibenzo[bild2£2ra2“9-onExample 7 ^ Alr§§ii2§l2is = l = Hydro ^ '3r (lil-dimethylheptyl2-6_16-dimethyl = 6i6aA7i8 z 10 ^ J.Oa-hexahydro-9H-dibenzo [Fig. 2

Fremgangsmåden ifølge eksempel 6 blev gentaget, dog omsattes re-sorcinolen med 4,7 g 1-isopropoxy-4-(1-hydroxy-l-methylethyl)- 1,4-cyclohexadien,og kun 3,5 ml stannichlorid blev anvendt, og stannichloridet tilsattes, medens reaktanterne var ved -10°C. Produktet var 2,65 g d,l-6a,10a-cis-l-hydroxy-3-(1,1-dimethylheptyl )-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d jpyran- 9-on, der var identisk med produktet i eksempel 1.The procedure of Example 6 was repeated, however, the resorcinol was reacted with 4.7 g of 1-isopropoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene and only 3.5 ml of stannous chloride was used and the stannous chloride was added while the reactants were at -10 ° C. The product was 2.65 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H -dibenzo [b, d jpyran-9-on, which was identical to the product of Example 1.

Følgende eksempler illustrerer fremstillingen af en forbindelse med formel I, ved hvilken en portion vand sættes til reaktionsblandingen.The following examples illustrate the preparation of a compound of formula I in which a portion of water is added to the reaction mixture.

EKSEMPEL 8 ^2lz§2Ai22z9i2r]:ZiiZ^r2?Yl3-^lil-dimethylh.eptyl2-6_16-dimethyl-EXAMPLE 8 [2Zz] 2Ai22z9i2r]: ZiiZ ^ r2? Yl3-ylil-dimethylheptyl 2-6_16-dimethyl

En opløsning af 11,8 g 5-(1,1-dimethylheptyl)-resorcinol og 10,0 g 1-methoxy-4-(1-hydroxy-1-methylethyl)-1,4-cyclohexadien i 200 ml kommerciel kvalitet dichlormethan omrørtes og afkøledes til -10°C i et is/acetonebad. Til den koldt omrørte reaktionsblanding sattes i en portion 0,9 ml vand og dråbevis i løbet af 15 10 145100 minutter 13 ml stannichlorid. Under tilsætning af stannichlorid til reaktionsblandingen steg temperaturen fra -10 til 5°C. Temperaturen af reaktionsblandingen blev holdt ved 0-5°C, og der om-rørtes i 7 timer. Reaktionsblandingen vaskedes med vand, 2N saltsyre og med 1N natriumhydroxid og igen med vand. Efter tørring af den vaskede reaktionsblanding fjernedes opløsningsmidlet derfra ved afdampning under reduceret tryk til opnåelse af et produkt som et fast stof. Det faste stof omkrystalliseredes fra 100 ml varm n-hexan, hvilket gav 15,5 g (83 pct. udbytte) d,l-6a,10a-cis-l-hy-droxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexa-hydro-9H-dfbenzo[b,d]pyran-9-on. Smp.: 153-158°C. Gas-væske- kromatografi viste, at produktet indeholdt 13 pct. af d,l-trans-isomeren.A solution of 11.8 g of 5- (1,1-dimethylheptyl) resorcinol and 10.0 g of 1-methoxy-4- (1-hydroxy-1-methylethyl) -1,4-cyclohexadiene in 200 ml of commercial grade dichloromethane The mixture was stirred and cooled to -10 ° C in an ice / acetone bath. To the cold stirred reaction mixture was added in a portion of 0.9 ml of water and dropwise 13 ml of stannous chloride over a period of 15 hours. With the addition of stannous chloride to the reaction mixture, the temperature rose from -10 to 5 ° C. The temperature of the reaction mixture was maintained at 0-5 ° C and stirred for 7 hours. The reaction mixture was washed with water, 2N hydrochloric acid and with 1N sodium hydroxide and again with water. After drying the washed reaction mixture, the solvent was removed therefrom by evaporation under reduced pressure to give a product as a solid. The solid was recrystallized from 100 ml of hot n-hexane to give 15.5 g (83% yield) of d, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) - 6,6-dimethyl-6,6a, 7,8,10,10a-hexa hydro-9H-dfbenzo [b, d] pyran-9-one. Mp: 153-158 ° C. Gas-liquid chromatography showed that the product contained 13 per cent. of the d, 1-trans isomer.

EKSEMPEL QEXAMPLE Q

d, l-6a,lOa-cis-l-Hydroxy-3-(17l-dimethylheptyl)-626-dimethyl-d, 1-6a, 10a-cis-1-Hydroxy-3- (17l-dimethylheptyl) -626-dimethyl

Fremgangsmåden i eksempel 8 blev fulgt, dog afkøledes reaktionsblandingen til -30°C før tilsætningen af stannichlorid, der foregik dråbevis i løbet af 30 minutter. Efter tilsætningen omrørtes blandingen i 7 timer ved 0°C. Produktet var 16,8 g d,l-6a,10a-cis-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on, der ved tyndtlagskromatografi blev fundet at være identisk med produktet i eksempel 1.The procedure of Example 8 was followed, however, the reaction mixture was cooled to -30 ° C before the addition of stannous chloride, which was dropped dropwise over 30 minutes. After the addition, the mixture was stirred for 7 hours at 0 ° C. The product was 16.8 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H -dibenzo [b, d] pyran-9-one, which by thin layer chromatography was found to be identical to the product of Example 1.

- EKSEMPEL 10 ^Aii^^iQ^iSi^iilSYii^^Zl^-Clil-dimethYlhepty^^eiG^dimethyl-EXAMPLE 10 ^ Aii ^^ iQ ^ iSi ^ iilSYii ^^ Zl ^ -Clil-dimethylHepty ^^ eiG ^ dimethyl-

Fremgangsmåden i eksempel 9 blev fulgt, dog var temperaturen før tilsætning af stannichlorid -20°C. Udbyttet var 17,5 g d,l-6a,10a-cis-l-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on, der ved tyndtlagskromatografi fandtes at være identisk med produktet i eksempel 1.The procedure of Example 9 was followed, however, the temperature before the addition of stannous chloride was -20 ° C. The yield was 17.5 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H -dibenzo [b, d] pyran-9-one, which by thin layer chromatography was found to be identical to the product of Example 1.

EKSEMPEL 11 6z6az7z8z 10^1^0a-hexahydro-9H-dibenzo[b, d] pyran-9-on Fremgangsmåden i eksempel 9 blev fulgt igen, dog var temperaturen 11 145100 før tilsætning af stannichlorid -9°C, og denne tilsætning foregik dråbevis i løbet af 1 time. Produktet var 16,4 g d,l-6a,10a-cis-l-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexa-hydro-9H-dibenzo[b,d]pyran-9-on, der ved tyndtlagskromatografi blev vist at være identisk med produktet i eksemplet ovenfor.EXAMPLE 11 6z6az7z8z 10 ^1 ^0a-Hexahydro-9H-dibenzo [b, d] pyran-9-one The procedure of Example 9 was followed again, however, the temperature was 11,100,100 before the addition of stannous chloride -9 ° C and this addition was carried out. drop in 1 hour. The product was 16.4 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexa-hydro -9H-dibenzo [b, d] pyran-9-one, which by thin layer chromatography was shown to be identical to the product in the example above.

EKSEMPEL 12 ^A^AlA^^AliSz^iS^Z^iSz^H-dibenzotb^dJpyran-^-on Fremgangsmåden i eksempel 8 blev gentaget, dog var begyndelsestemperaturen 10°C, og stannichlorid blev tilsat dråbevis hurtigt.EXAMPLE 12 ^ A ^ AlA ^^ AliSz ^ iS ^ Z ^ iSz ^ H-dibenzotb ^ dJpyran - ^ - on The procedure of Example 8 was repeated, however, the initial temperature was 10 ° C and stannous chloride was added dropwise rapidly.

Efter tilsætning blev reaktionsblandingen opvarmet til kogning med tilbagesvaling og holdt ved denne temperatur, medens der om-rørtes i 7 timer. Produktet var 13,7 g d,l-6a,10a-cis-l-hydroxy- 3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on, hvilket var identisk med produktet i eksemplerne ovenfor.After addition, the reaction mixture was heated to reflux and kept at this temperature while stirring for 7 hours. The product was 13.7 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H -dibenzo [b, d] pyran-9-one, which was identical to the product in the examples above.

EKSEMPEL 13 ^2lz§§2l2§z9i®zlz?Y^2^z3rililrdimethylhe2tyl2-6i6-dimethyl-EXAMPLE 13 ^ 2lz§§2l2§z9i®zlz? Y ^ 2 ^ z3rililrdimethylhe2tyl2-6i6-dimethyl

6i6ai72§i102l0azhexah.ydr2z2Sz2ii2S52l52^JEYr2Ez2z2E6i6ai72§i102l0azhexah.ydr2z2Sz2ii2S52l52 ^ JEYr2Ez2z2E

Fremgangsmåden i eksempel 12 blev fulgt igen, dog var begyndelsestemperaturen 5°C, og reaktionsblandingen fik lov at opvarme til stuetemperatur, medens der omrørtes i 7 timer. Produktet var 15,1 g d,l-6a,10a-cis-l-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,1Oa-hexahydro-9H-dibenzo[b,d]pyran-9-on, der var identisk med produktet i eksempel 1.The procedure of Example 12 was followed again, however, the initial temperature was 5 ° C and the reaction mixture was allowed to warm to room temperature while stirring for 7 hours. The product was 15.1 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,1Oa-hexahydro-9H -dibenzo [b, d] pyran-9-one identical to the product of Example 1.

Følgende præparationer illustrerer den måde, hvorpå forbindelserne med formel I kan omdannes til den vigtige pharmakologisk mere aktive 6a,10a-trans-forbindelse.The following preparations illustrate the manner in which the compounds of formula I can be converted to the important pharmacologically more active 6a, 10a trans compound.

PRÆPARATION 2 22lz§2ji2§zir§E2ziziiY§i!2?Zz3zl]:ilidimethylhe£tyl2-6i6-dimethYl- §2§§2Z2§2l22lQ§zi}252^Y^i!2z2iiz2i5®222lEi2-lEZr§Ez9z22 En opløsning af 1,0 g d,l-6a,10a-cis-l-hydroxy-3-(1,1-dimethylheptyl )-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-on i 40 ml dichlormethan af kommerciel kvalitet omrørtes vedPREPARATION 2 22lz§2ji2§zir§E2ziziiY§i! 2? Zz3zl]: ilidimethylhe £ tyl2-6i6-dimethYl- §2§§2Z2§2l22lQ§zi} 252 ^ Y ^ i! 2z2iiz2i5®222lEi2-lEZr§ of 1.0 gd, 1-6a, 10a-cis-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H- dibenzo [b, d] -pyran-9-one in 40 ml of commercial grade dichloromethane was stirred at

Claims (1)

i 12 145100 24°C, medens 1,0 g aluminiumchlorid blev tilsat. Reaktionsblan-dingen omrørtes ved 24°C i 4 timer. Reaktionsblandingen vaskedes med 1N saltsyre og med vand. Efter tørring af den organiske opløsning fjernedes opløsningsmidlet ved inddampning under reduceret tryk, hvilket gav 994 mg af produktet som et fast stof. Dette omkrystalliseredes fra hexan til opnåelse af 761 mg d,l-6a,10a-trans-1-hydroxy-3-(1,1-dimethylheptyl)-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on. Smp.: 160-161°C. PRÆPARATION 5 ^ill§^il9§:i?§5®l3:l5Z^r2^l5in;;2entyl-6i6=dimethyl-6J,6ai7i8i10A10a- hexahy^o=9H-dibenzo£hAd_]2yran-9-on En opløsning af 400 mg d,l-6a,10a-cis-l-hydroxy-3-n-pentyl-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dihenzo[b,d]pyran-9-on i 200 ml dichlormethan af kommerciel kvalitet omrørtes ved 24°C, medens 600 mg aluminiumchlorid tilsattes. Reaktionsblandingen omrørtes ved 24°C i 2 timer. Efter vast af reaktionsblandingen med vand og tørring af den organiske opløsning fjernedes opløsningsmidlet ved inddampning under reduceret tryk, hvilket gav produktet som et fast stof. Det faste stof omkrystalliseredes fra n-hexan til opnåelse af 220 mg d,l-6a,10a-trans-l-hydroxy-3-n-pentyl-6,6-di-methyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-on. Smp.: 146-150°C. P_a_t_e_n_t_k_r_a_v__: Fremgangsmåde til fremstilling af 3-substituerede cis-l-hydro-xy-6,6-dimethyl-6, 6a,7,8,10,10a-hexahydro-9H-dibenzo [b,d Jpyran- 9-oner med den almene formel: ^ A 0H 6^0aj^ nfji HjC—^yL^l—R 1 CH- 3at 12 ° C, while 1.0 g of aluminum chloride was added. The reaction mixture was stirred at 24 ° C for 4 hours. The reaction mixture was washed with 1N hydrochloric acid and with water. After drying the organic solution, the solvent was removed by evaporation under reduced pressure to give 994 mg of the product as a solid. This was recrystallized from hexane to give 761 mg of d, 1-6a, 10a-trans-1-hydroxy-3- (1,1-dimethylheptyl) -6,6-dimethyl-6,6a, 7,8,10,10a hexahydro-9H-dibenzo [b, d] pyran-9-one. Mp: 160-161 ° C. PREPARATION 5 ^ ill§ ^ il9§: i? §5®l3: l5Z ^ r2 ^ l5in ;; 2entyl-6i6 = dimethyl-6J, 6ai7i8i10A10a- hexahy ^ o = 9H-dibenzo £ hAd_] 2yran-9-one A solution of 400 mg of d, 1-6a, 10a-cis-1-hydroxy-3-n-pentyl-6,6-dimethyl-6,6a, 7,8,10,10a-hexahydro-9H-dihenzo [b, d ] pyran-9-one in 200 ml of commercial grade dichloromethane was stirred at 24 ° C while 600 mg of aluminum chloride was added. The reaction mixture was stirred at 24 ° C for 2 hours. After vaporizing the reaction mixture with water and drying the organic solution, the solvent was removed by evaporation under reduced pressure to give the product as a solid. The solid was recrystallized from n-hexane to give 220 mg of d, 1-6a, 10a-trans-1-hydroxy-3-n-pentyl-6,6-dimethyl-6,6a, 7,8,10 , 10a-hexahydro-9H-dibenzo [b, d] pyran-9-one. Mp: 146-150 ° C. P_a_t_e_n_t_k_r_a_v__: Process for the preparation of 3-substituted cis-1-hydro-xy-6,6-dimethyl-6, 6a, 7,8,10,10a-hexahydro-9H-dibenzo [b, d the general formula: AH
DK301377A 1976-07-06 1977-07-05 METHOD FOR PREPARING 3-SUBSTITUTED CIS-1-HYDROXY-6,6-DIMETHYL-6,6A, 7,8,10,10A-HEXAHYDRO-9H-DIBENZO (B, D) PYRAN-9-ONER DK145100C (en)

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