【结 构 式】 |
【分子编号】33614 【品名】2-(4-isobutylphenyl)acetonitrile 【CA登记号】 |
【 分 子 式 】C12H15N 【 分 子 量 】173.25784 【元素组成】C 83.19% H 8.73% N 8.08% |
合成路线1
该中间体在本合成路线中的序号:(I)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.
【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 |