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【结 构 式】 
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【分子编号】62708 【品名】3-[4-(3-methyl-2-thienyl)phenyl]-2-oxobutanenitrile 【CA登记号】 |
【 分 子 式 】C15H13NOS 【 分 子 量 】255.34036 【元素组成】C 70.56% H 5.13% N 5.49% O 6.27% S 12.56% |
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：(XXXVII)The chlorohydrin (XXXIII), obtained as in Scheme 8, was converted to enol ether (XXXVI) via O-alkylation with bromoethane and sodium amide, followed by basic dehydrohalogenation. Acid hydrolysis of enol ether (XXXVI) produced the keto nitrile (XXXVII), which was then hydrolyzed and decarbonylated to 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 | |
| (XXXIII) | 62704 | 3-chloro-2-hydroxy-3-[4-(3-methyl-2-thienyl)phenyl]butanenitrile | C15H14ClNOS | 详情 | 详情 | |
| (XXXVI) | 62707 | (Z)-2-ethoxy-3-[4-(3-methyl-2-thienyl)phenyl]-2-butenenitrile | C17H17NOS | 详情 | 详情 | |
| (XXXVII) | 62708 | 3-[4-(3-methyl-2-thienyl)phenyl]-2-oxobutanenitrile | C15H13NOS | 详情 | 详情 |
Extended Information