ethyl 2-cyano-2-(4-isobutylphenyl)acetate -Drug Synthesis Database

【结构式】

【分子编号】33616

【品名】ethyl 2-cyano-2-(4-isobutylphenyl)acetate

【CA登记号】

【分子式】C₁₅H₁₉NO₂

【分子量】245.3214

【元素组成】C 73.44% H 7.81% N 5.71% O 13.04%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(III)

Several methods for obtaining this compoud have been described: 1) By treating the 4-isobutyl phenyl acetonitrile (I) with sodium amide and ethyl iodide, followed by the hydrolysis of the reaction product (II). 2) The reaction of the nitrile (I) with sodium ethoxide and diethyl carbonate leads to the cyanoacetic ester (III), which is treated with ethyl iodide; thus (IV) being obtained, the hydrolysis and decarboxylation of (IV) leads to the final acid. 3) The alkaline hydrolysis of the 4-isobutyl phenyl acetonitrile (I) leads to 4-isobutyl phenyl acetic acid (V). This product after treatment with Na in naphthalene and ethyl iodide (A) yields the required compound.

参考文献中间体

合成目标

【1】 Aparicio, L.; et al.; Procedimiento para la obtencion del acido 2-(4'-isobutifenil)butirico. ES 427197; ES 435173; ES 435174 .
【2】 Aparicio, L.; Butibufen. Drugs Fut 1977, 2, 3, 156.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(A)	10925	Iodoethane;ethyl iod	75-03-6	C₂H₅I	详情	详情
(I)	33614	2-(4-isobutylphenyl)acetonitrile		C₁₂H₁₅N	详情	详情
(II)	33615	2-(4-isobutylphenyl)butanenitrile		C₁₄H₁₉N	详情	详情
(III)	33616	ethyl 2-cyano-2-(4-isobutylphenyl)acetate		C₁₅H₁₉NO₂	详情	详情
(IV)	33617	ethyl 2-cyano-2-(4-isobutylphenyl)butanoate		C₁₇H₂₃NO₂	详情	详情
(V)	33618	2-(4-isobutylphenyl)acetic acid		C₁₂H₁₆O₂	详情	详情

Extended Information