|
【结 构 式】 
|
【分子编号】62720 【品名】N-(2-hydroxy-1,1-dimethylethyl)-2-(4-iodophenyl)propanamide 【CA登记号】 |
【 分 子 式 】C13H18INO2 【 分 子 量 】347.19593 【元素组成】C 44.97% H 5.23% I 36.55% N 4.03% O 9.22% |
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：(LI)The iodophenyl propionic acid (XLVIII) was protected as the oxazoline (LII) via activation as the corresponding acid chloride (XLIX), which was condensed with 2-amino-2-methylpropanol (L) to yield amide (LI). Subsequent cyclization of hydroxy amide (LI) by treatment with phosphorus oxychloride led to oxazoline (LII). Palladium coupling between aryl iodide (LII) and the Grignard reagent (VIII) provided the biaryl adduct (LIII). The oxazoline (LIII) was then hydrolyzed to (IX) with sulfuric acid and AcOH
| 【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 |
|---|---|---|---|---|---|---|
| (VIII) | 36973 | bromo(3-methyl-2-thienyl)magnesium | C5H5BrMgS | 详情 | 详情 | |
| (IX) | 62687 | 2-[4-(3-methyl-2-thienyl)phenyl]propanoic acid | C14H14O2S | 详情 | 详情 | |
| (XLVIII) | 62718 | 2-(4-iodophenyl)propanoic acid | C9H9IO2 | 详情 | 详情 | |
| (XLIX) | 62719 | 2-(4-iodophenyl)propanoyl chloride | C9H8ClIO | 详情 | 详情 | |
| (L) | 21513 | 2-amino-2-methyl-1-propanol；Karl Fischer;2-Amino-2-methyl-propan-1-ol；2-amino-2-methyl-1-propanol | 124-68-5 | C4H11NO | 详情 | 详情 |
| (LI) | 62720 | N-(2-hydroxy-1,1-dimethylethyl)-2-(4-iodophenyl)propanamide | C13H18INO2 | 详情 | 详情 | |
| (LII) | 62721 | 2-[1-(4-iodophenyl)ethyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole | C13H16INO | 详情 | 详情 | |
| (LIII) | 62722 | 4,4-dimethyl-2-{1-[4-(3-methyl-2-thienyl)phenyl]ethyl}-4,5-dihydro-1,3-oxazole | C18H21NOS | 详情 | 详情 |
Extended Information