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【结 构 式】 
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【分子编号】62705 【品名】(Z)-1-cyano-2-[4-(3-methyl-2-thienyl)phenyl]-1-propenyl acetate 【CA登记号】 |
【 分 子 式 】C17H15NO2S 【 分 子 量 】297.37764 【元素组成】C 68.66% H 5.08% N 4.71% O 10.76% S 10.78% |
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：(XXXIV)Glycidonitrile (XXXII) was prepared by condensation of ketone (XIV) with chloroacetonitrile (XXXI) under Darzens conditions. Epoxide ring opening in (XXXII) by HCl in toluene provided the chlorohydrin (XXXIII). Acetylation of (XXXIII), followed by dehydrohalogenation led to the acetoxy acrylonitrile (XXXIV). Hydrolysis and decarbonylation of (XXXIV) provided an alternative access to the arylpropionic acid (IX)
| 【2】 Arai, H.; Tanaka, K.; Watanabe, I.; Kodama, T.; Hirano, H.; Abe, N.; Nakabayashi, M. (Toyama Chemical Co., Ltd.); Novel 2-[4-(3-methyl-2-thienyl)phenyl]propionic acid and pharmaceutically acceptable salt thereof and method for treating symptoms of inflammation and pain. US 4230719 . |
| 【1】 Kodama, T.; Nakabayashi, M.; Watanabe, I.; Hirano, Y.; Abe, N.; Tanaka, K.; Arai, H. (Toyama Chemical Co., Ltd.); 2-[4-(3-Methyl-2-thienyl)phenyl]propionic acid derivs. and its non-toxic salts. DE 2850485; JP 1981049376 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 62687 | 2-[4-(3-methyl-2-thienyl)phenyl]propanoic acid | C14H14O2S | 详情 | 详情 | |
| (XIV) | 62689 | 1-[4-(3-methyl-2-thienyl)phenyl]-1-ethanone | C13H12OS | 详情 | 详情 | |
| (XXXI) | 14443 | 2-chloroacetonitrile; chloroacetonitrile | 107-14-2 | C2H2ClN | 详情 | 详情 |
| (XXXII) | 62703 | 3-methyl-3-[4-(3-methyl-2-thienyl)phenyl]-2-oxiranecarbonitrile | C15H13NOS | 详情 | 详情 | |
| (XXXIII) | 62704 | 3-chloro-2-hydroxy-3-[4-(3-methyl-2-thienyl)phenyl]butanenitrile | C15H14ClNOS | 详情 | 详情 | |
| (XXXIV) | 62705 | (Z)-1-cyano-2-[4-(3-methyl-2-thienyl)phenyl]-1-propenyl acetate | C17H15NO2S | 详情 | 详情 |
Extended Information