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CA1176265A - Process for the manufacture of dibenzoxepinones - Google Patents

Process for the manufacture of dibenzoxepinones

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Publication number
CA1176265A
CA1176265A CA000420425A CA420425A CA1176265A CA 1176265 A CA1176265 A CA 1176265A CA 000420425 A CA000420425 A CA 000420425A CA 420425 A CA420425 A CA 420425A CA 1176265 A CA1176265 A CA 1176265A
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CA
Canada
Prior art keywords
formula
compound
acid
defined above
isolation
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Expired
Application number
CA000420425A
Other languages
French (fr)
Inventor
Eberhard Ehlers
Karl Muth
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Hoechst AG
Original Assignee
Hoechst AG
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Filing date
Publication date
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Publication of CA1176265A publication Critical patent/CA1176265A/en
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Classifications

    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07DHETEROCYCLIC COMPOUNDS
    • C07D313/00Heterocyclic compounds containing rings of more than six members having one oxygen atom as the only ring hetero atom
    • C07D313/02Seven-membered rings
    • C07D313/06Seven-membered rings condensed with carbocyclic rings or ring systems
    • C07D313/10Seven-membered rings condensed with carbocyclic rings or ring systems condensed with two six-membered rings
    • C07D313/14[b,f]-condensed

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  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Pharmaceuticals Containing Other Organic And Inorganic Compounds (AREA)

Abstract

Abstract of the disclosure A process for the manufacture of a compound of the formula (II) wherein X and Y are identical or different from each other and each denote hydrogen, halogen, trifluoro-methyl, C1-C6-alkoxy, C1-C6-alkyl, C1-C6-alkylthio, C1-C6-alkylsulfonyl, C1-C6-alkylsulfinyl, amino or nitro, which comprises a) reacting a compound of the formula XI

(XI) wherein X is as defined above, with a phenol of the formula IV
(IV) wherein Y is as defined above, to give a compound of the formula IX

Description

~76265
- 2 - HOE 82/F 012 European laid open specification No. 0,002,508 describes dibenzoxepine derivatives of the formula I
S- ~CH2)n~Z

X
wherein X and Y are identical or different from each other and each denote hydrogen, halogen, trifluoromethyl, C1-C6-alkoxy, C1-C6-alkyl, alkylthio, C1-C6-alkylsulfonyl, C1-C6-alkylsulfinyl, amino or nitro, Z is halogen or -NR R with R1 denoting hydrogen, straight-chain or branched C1-C6-alkyl, cyano, cycloalkyl-C1-C6-alkyl, the cycloalkyl ring of which having 3 to 6 carbon atoms, phenoxycarbonyl and R is straight~chain or branched C1-C6-alkyl or cycloalkyl-C1-C6-alkyl, the cycloalkyl moiety having from 3 to 6 carbon atomsl or R and R together with the nitrogen atom form a heterocycle and n is an integer of from 2 to 4, and salts thereof with physiologically acce~table acids.
These compounds possess analgetic, soothing, anti-depressant and anticonvulsant properties.
The key compound for the synthesis of said derivatives is a dibenzoxepinone derivative of the formula II

~ Y (II) wherein X and Y are as defined above. These cyclic ketones can be synthesized inter alia in the following manner:
Method I:
(V. SEIDLOVA et al., Collect. Czechoslov. ChemO Commun. 34 (8), 2258-77 (1969); U.S.-Pat. 4 094 900; ~I. MARONA, Pol. J. Chem. 53 (7/8) 1645~48 (1979); U.S.-Pat. 4 198 421;
J. A~KRELL et al., J. Med. Chem. 21 (1978) 10, 1035-1044;

*

, . .. , . .. ~ ..

il76Z65
- 3 - HOE 82/F 012 P. CAGNIANT, G. KIRSCH, C.X. Acad. Sci. Ser. C 283 (1976) 15, 683-86).

O~I _~ K2C3 X Cu-Cat.
(III) (IV~

X ~ Y "Vit~ides"
(V) (VI) .

~ ~ _____~ ~ B2504 (VII) (VIII) O
CH2-COOH Socl2/Alcl3 ~ Y ~

X - ~ or X ~ y ,., PPA, (IX~ Y (II) Following these steps, a corresponding substituted o-halogeno-benzoic acid of the formula III wherein the halogen is chlorine, bromine or iodine, is treated with a phenol of the formula IV, the acid is reduced to give a ~76Z65
4 - HOE 82/F 012 benzyl alcohol V and the latter is converted to the benzyl chloride derivative VII~ The subsequent nitrile synthesis gives a benzyl cyanide derivative of the formula VIII which may be saponified to give a phenylacetic acid derivative IX.
An intramolecular Friedel-Crafts reaction of the latter with SOCl2 in the presence of AlC13 or an other Lewis acid or an intramolecular condensation of compounds of the formula IX in polyphosphoric acid gives derivatives of the formula II.
Method II:
(A.~I. CHOUD'~URY, K. SCHOFIELD, R.S. W~RD, J. Che~.Soc. (c) 1g70 (1~), 2543-47) ~CH2-COOH ~3_ (X) (IV) 20 ~ ~ - analo~ously to~ (II) X ~ method I- --~-(IX) y Thereafter o-bromophenylacetic acid or o-iodophenyl-acetic acid of the formula X prepared in a manner known in literature is treated with a phenol of the formula IV by an Ullmann reaction to give a phenylacetic acid derivative of the formula IX, which latter can be cyclized in the manner specified above to give dibenzoxepinones II.
Both of said methods have some disadvantages, however.
For example, method I is a multi-step synthesis process, which is very complicated and gives the wanted ketones II
only in a small total yield. The 2-iodobenzoic acid and the 2-bromobenzoic acid of the formula III are difficult to obtain and reduction of the carboxylic acid of the formula V to give the corresponding alcohol of the formula VI can be carried out only with difficulty for safety reasons.

.

~176265
- 5 - HOE 82/F 012 Method II has so far been considered as being feasible only to compounds of formula X wherein Hal is bromine or iodine, as it has been believed that an exchange of the chlorine atom at a non-activated aromatic compound, for example 2-chlorophenylacetic acid, for oxy~en nucleophilic compounds, for example phenols, could be carried out not at all or only with extremely low yields.
An exchange of halogen denoting chlorine for sulfur nucleophilic compounds, for example thiophenollhas been su~cessful hitherto only in the presence of activating groups, for example a nitro group (K. SINDELAR et al., Collect. Czechoslov. Chem. Common. 42, (7), 2231-39 (1977)).

~ CH2-COO~ ¦ ~ CH2-COO~

~Z~f CE~2--COOH

The exchange of chlorine in o-chlorophenylacetic acid derivatives, even in the presence of activating groups, for oxygen nucleophilic groups, as for example phenols, has not been described up to now.
~ethod III:
A third method for the synthesis of dibenzoxepine derivatives of the formula II (Dainippon Pharm KK European patent application A 2,893: I. KEDA, Y. SATO, S. MAENO, S. UMIO Chem. Pharm. Bull. 26, (1978) 10, 3058-3070) uses o-halogenoacetophenone derivatives of the formula XII as starting compounds, which are reacted in a multi-step reaction sequence according to the scheme shown below to give compounds of the formula XVI, from which the wanted ~1762~i5
- 6 - HOE 82/F 012 compounds of the formula II may be prepared in a manner known in literature. A in the formulae below denotes S or O:

~ Hal ~A ~ Ullmann-~ -CH3 ~ -reaction X O

(XII) (XIII) -CH reaction X CH -C-N(R) ~XIV) (XV~ .

.
O

-COOH

~V~ - . (II) This method involves a multi-step procedure and requires on principle long reaction times and high tempera-tures and a further disadvantage resides in the fact that the o-iodo- or o-chloroacetophenone derivative used as starting compound is rather difficult to obtain.
Surprisingly it has now been found that an o-chloro-phenylacetic acid derivative of the formula XI

~f CH2cooH
~ Cl (XI) ~176~6S
- 7 - HOE 82/F 012 wherein X is hydrogen, halogen, trifluoromethyl, C1-C6-alkoxy, C1-C6-alkyl, C1-C6-alkylthio, C1-C6-alkylsulfonyl, C1-C6-alkylsulfinyl, amino or a nitro group, can be reacted with a phenol derivative of the formula IV

HO - ~ (IV) wherein Y has the same meaning as X or wherein Y and X are identical or different from each other, to give an ortho-phenoxyphenylacetic acid derivative of the formula IX
~ CH2-COOH ~IX~

wherein X and ~ are as defined above, in good yields. The compound of formula IX can be cyclized in a manner known in literature to give a dibenzoxepine derivative of the formula II
.

~0 Y

~ O ~ (II) wherein X and Y are as defined above.
Arlother variant of the process of the invention consists in reacting an ortho-chlorophenylacetic acid derivative of the formula XI with a phenol derivative of the formula IV wherein X and Y are as defined above, to ~ive directly compounds of formula II.
.

In this process X is preferably hydrogen and Y is preferably hydrogen and halogen.
The ortho-chlorophenylacetic acid derivatives XI and phenols IV are known in literature or can be prepared by methods known in literature (Organikum, Organisch chemisches Grundpraktikum, Reprint of the 15th revised edition of VEB
Deutscher Verlag der Wlssenschaften Berlin 1977, pages i~762~5
- 8 - HOE 82/F 012 269-271 and pages 532-534).
Variant A
_ In variant A the ortho-chlorophenylacetic acid of formula XI is reacted with the phenol derivative of for~
mula IV under basic conditions in an inert solvent at elevated temperature in the presence of copper or copper salts as catalysts. Examples of inert solvents include alkylbenzenes, preferably xylene or mesitylene, or other high-boiling solvents such as diethylene glycol dimethyl ether. Examples of basic catalysts include alkyl metal hydroxides, alkali metal alcoholates and alkali metal carbonates, preferably potassium carbonate.
The reaction takes place in a temperature range of from 120 to 180C, preferably of from 130 to 160C.
Examples of suitahle copper catalysts are metallic copper, copper-I salts such as Cu-I chloride, Cu-I oxide or copper-II salts such as Cu-II chloride, Cu-II oxide and Cu-II acetate.
Tne 2-phenoxy-phenyiacetic acid derivative of for-mula IX obtained may be isolated from the reaction mixture by extraction with water and acidification of the aqueous solution with a mineral acid, for example hydrochloric acid or sulfuric acid and be converted to the dibenzoxepinone derivative of formula II in a manner known in literature.
Variant B
The derivatives of the formulae XI and IV are reacted in the manner specified sub A. The desired product is extracted from the reaction mixture by an inert solvent, preferably methylene chloride and the extract is dropped into polyphosphoric acid at elevated temperature. Thedibenzoxepinone derivatives of formula II may be isolated easily from the reaction mixture in a high purity by dilution with water.
The process according to the invention has ~reat advan-tages, as compared to the known methods: The process steps - are reduced from 6 to 2 and 3, respectively, and the . .
process pexmi~s the use of o-chlorophenylacetic acid derivatives which can be readily prepared from o-chloro-~176Z1~5
- 9 ~ HOE 82/F 012 benzyl chlorides.
The following examples illustrate the invention:
E X A M P L E
2-(4-Fluorophenoxy)-phenylacetic acid 34.1 g (0.2 mol) of 2-chlorophenylacetic acid, 22.4 g (0.2 mol) of 4-fluorophenol, 0.2 g of copper-II oxide and 52.2 g (0.375 mol) of anhydrous ground potash are refluxed in 580 ml of xylene for 2.5 hours under energetic stirring, while the water fo~med by the reaction is separated by azeotropic distillation. The reaction mixture is allowed to cool, decomposed with 400 ml of water and the aqueous phase is separated and acidified with concentrated hydro-chloric acid. The precipitate formed is filtered off and washed with water. Drying in vacuo at room temperature gives 46.55 g of the title compound having a melting point of from 96-97C.

.
The procedure is analogous to that of Example 1, except that 5.0 g of metallic copper is used instead of CuO. Isolation gives 46.1 g of the title compound having a melting point of from 92-94C.

.
The procedure is analogous to that of Example 1, except that 0.2 g of copper-II acetate is used instead of CuO. Isolation gives 45.9 g of the title compound having a melting point of from 95-96C.
_ A M P I, E 4 The procedure is analogous to that of Example 1, except that 0.2 g of copper-I chloride is used instead of -30 CuO. Recrystallization from cyclohexane-toluene (2:1) gives 40.1 g of the title compound having a melting point of from 97-99C.

The procedure is analogous to that of Example 1, except that 0.2 g of copper-II chloride is used instead of CuO. There are obtained 49 g of the crude title compound having a melting point of 86~C.
- 10 - HOE 82/F 012 The procedure is analogous to that of Example 1, except that mesitylene is used instead of xylene as the solvent and that metallic copper is used instead of CuO as a catalyst. Isolation following a reaction time of 1 and a quarter of an hour gives 51.3 -g of the title compound having a melting point of from 88-94C.

The procedure is analogous to that of Example 1, except that mesitylene is used instead of xylene as the solvent and that a Cu catalyst is omitted. Isolation follo-wing a reaction time of 5 hours ~ives 43.0 g of a compound having a melting point of from 48-55C and 61 % of which consisting of the title compound wanted and 38 % consisting of unreacted o-chlorophenylacetic acid.

- The procedure is analogous to that of Example 1, except that diethylene glycol dimethyl ether is used as the solvent and 5 g of metallic copper as the catalyst. Isola-tion gives the title compound in a yield of 10.1 ~.
E X A M P L E g 2-Fluro-10,11-dihydro-11 oxodibenz/ b,f 7 -oxepine 24.6 g (0.1 mol) of the 2-(4-fluorophenoxy)-phenyl-acetic acid prepared according to Example 1 are dissolved in 50 ml of 1.2-dichloroethane and heated until refluxing.
7.65 ml (0.105 mol) of thionyl chloride are dropped to the resultant solution within 15 minutes and the batch is refluxed for 1 hour, diluted with a further 50 ml of 1,2-dichloroethane and dropped at room temperature within 30 minutes to a suspension of 14.7 g ~0.11 mol) of aluminum chloride in 50 ml of dichloroethane. The batch is refluxed for 2 hours, allowed to cool and decomposed with 229 ml of ice water and 82 ml of concentrated hydrochloric acid.
The mixture is extracted twice with 150 ml of methylene chloride and the combined organic phases are washed twice with 90 ml of a 5 ~ NaOH solution~ The methylene chloride phases are dried, filtered and the solvent is evaporated in vacuo. Isolation gives 21.8 g of the crude title compound ~176Z65 ~ OE 82/F 012 having a melting point of from 78~84C, which, after re-crystallization from methanol, melts at 82-84C.

The procedure is analogous to that of Example 9, except that 15.0 g (0.11 mol) of zinc-II chloride are used instead of AlCl3. Isolation gives 23.2 g of the title compound having a melting point of from 80-90C.
E ~ A M P L E _ 11 The procedure is analogous to that of Example 9~
except that 100 ml of methylene chloride are used to obtain the acid chloride wanted and that the acid chloride solution is dropped to a suspension of 14~7 g (0.11 mol) of AlCl3 in 50 ml of methylene chloride.

-2-Fluoro-10,11-dihydro-11-oxodibenz/ b,f 7-oxepine 345 g of polyphosphoric acid are heated to 75-80C and 67.4 g (0.273 mol) of the 2-(4-fluorophenoxy)-phenylacetic acid prepared according to Example 1 are added in solid form. Upon complete addition, the product is stirred for 1 hour at 75-80C and 621 ml of ice water are added carefully to decompose the product. The precipitate obtained is filtered off, washed with water and dried. There are obtained 63.1 g of the title compound having a melting point of from 83-86C.

According to the procedure of Example 12 508 g of phosphoric acid are heated to 75-80C and a solution of 97.7 g ~0.4 mol) of 2-(4-fluoro phenoxy)-phenylacetic acid in 275 ml of methylene chloride is added dropwise within 15 minutes, while distilling off the methylene chloride.
Following this addition, the reaction mixture is stirred for one hour at 75-80C and the hot solution is added to 914 ml of ice water. Isolation gives 92.1 g of 2-fluoro-10,11-dihydro-11-oxodibenz/ b,f 7-oxepine having a melting point of from 82-85C.

2-Fluoro-10,11-dihydro-11-oxodibenz/ b,f 7-oxepine 34.1 g ~0.2 mol) of 2-chlorophenylacetic acid, 22.4 g i~176265 (0.2 mol) of 4-fluorophenol, 52.2 g (0.374 mol) of anhydrous ground potash and 0.2 g of copper-II oxide are refluxed for 2.5 hours in 580 ml of xylene, while the reaction water formed is separated by a~eotropic distilla-tion. The product is left to cool to room temperature anddecomposed with 100 ml of water. The alkaline aqueous phase is separated and 450 ml of methylene chloride are added and 450 ml of methylene chloride are added and form a bottom layer. About 70 ml of concentrated hydrochloric acid is added, the batch is stirred for a quarter of an nour, the methylene chloride phase is separated and added subsequently within 30 minutes at 75-80C to 250 g of polyphosphoric acid, while C~2Cl2 separates by distillation. Stirring is continued for 1 hour at 75-80C and the hot reaction solution is dropped into 500 ml of ice water. The precipi-tate is filtered off, washed with water and dried in vacuo.
There are obtained 44.1 g of the title compound having a melting point of from 77-83C.

Claims (3)

THE EMBODIMENTS OF THE INVENTION IN WHICH AN EXCLUSIVE PROPERTY
OR PRIVILEGE IS CLAIMED ARE DEFINED AS FOLLOWS:
1. A process for the preparation of a compound of the formula II
II

wherein X and Y are identical or different from each other and each denote hydrogen, halogen, trifluoromethyl, C1-C6-alkoxy, C1-C6-alkyl, C1-C6-alkylthio, C1-C6-alkylsulfonyl, C1-C6-alkyl-sulfinyl, amino or nitro, in which (a) a compound of the formula XI

XI

wherein X is as defined above is reacted with a phenol of the formula IV IV
wherein Y is as defined above, to give a compound of the formula IX

IX

wherein X and Y are as defined above and (b) the compound obtained is cyclized without isolation or after isolation.
2. A process as claimed in claim 1 in which the compound of the formula XI is reacted with a phenol derivative of the formula IV under basic conditions in an inert solvent at an elevated temperature in the presence of a copper salt as a catalyst.
3. A process as claimed in claim 2 in which the temperature range is from 120 to 180°C.
CA000420425A 1982-01-30 1983-01-28 Process for the manufacture of dibenzoxepinones Expired CA1176265A (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
DE19823203065 DE3203065A1 (en) 1982-01-30 1982-01-30 Process for the preparation of dibenzoxepinones
DEP3203065.7 1982-01-30

Publications (1)

Publication Number Publication Date
CA1176265A true CA1176265A (en) 1984-10-16

Family

ID=6154336

Family Applications (1)

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Country Status (3)

Country Link
CA (1) CA1176265A (en)
DE (1) DE3203065A1 (en)
ES (1) ES8400741A1 (en)

Cited By (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6602898B1 (en) 1999-06-03 2003-08-05 Nippon Suisan Kaisha, Ltd. Tricyclic fused heterocycle compounds, process for preparing the same and use thereof

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1997025985A1 (en) 1996-01-19 1997-07-24 Nippon Suisan Kaisha, Ltd. Tracheal smooth muscle relaxant

Cited By (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6602898B1 (en) 1999-06-03 2003-08-05 Nippon Suisan Kaisha, Ltd. Tricyclic fused heterocycle compounds, process for preparing the same and use thereof
US6700013B2 (en) 1999-06-03 2004-03-02 Nippon Suisan Kaisha, Ltd. Tricyclic fused heterocycle compounds, process for preparing the same and use thereof
US7410997B2 (en) 1999-06-03 2008-08-12 Nippon Sulsan Kaisha, Ltd. Tricyclic fused heterocycle compounds, process for preparing the same and use thereof

Also Published As

Publication number Publication date
ES519344A0 (en) 1983-11-01
DE3203065A1 (en) 1983-08-04
ES8400741A1 (en) 1983-11-01

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