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【结 构 式】 
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【分子编号】36192 【品名】N,N-dimethyl-N-[(2-methyl-1H-indol-3-yl)methyl]amine; N,N-dimethyl(2-methyl-1H-indol-3-yl)methanamine 【CA登记号】 |
【 分 子 式 】C12H16N2 【 分 子 量 】188.27252 【元素组成】C 76.55% H 8.57% N 14.88% |
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：(II)The condensation of 2-methyl-3-(1H-imidazol-1-ylmethyl)indole (III) with acrylonitrile (IV) by means of benzyltrimethylammonium hydroxide (B) in dioxane gives 1-(2-cyanoethyl)-2-methyl-3-(1H-imidazol-1-ylmethyl)indole (V), which is then hydrolyzed with KOH in water. The reaction of compound (III) with methyl acrylate (VI) in the same conditions as before gives 1-(2-methoxy-carbonylethyl)-2-methyl-3-(1H-imidazol-1-ylmethyl)indole (VII), which is also hydrolyzed. Compound (III) can be obtained from 2-methylindole (I).
| 【1】 Cross, P.E.; Dickinson, R.P.; Randall, M.J.; Parry, M.J.; K-38485, a novel, selective thromboxane synthetase inhibitor with prolonged activity in vivo. N Am Med Chem Symp 1982, 68. |
| 【2】 Cross, P.E.; Dickinson, R.P. (Pfizer Inc.); Inhibition of thromboxane synthetase by 3-(1-imidazolylalkyl)indoles. NL 8001351 . |
| 【3】 Serradell, M.N.; Castaner, J.; Blancafort, P.; Grau, M.; UK-38485. Drugs Fut 1983, 8, 11, 947. |
| 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) | 10255 | Imidazole; 1H-Imidazole | 288-32-4 | C3H4N2 | 详情 | 详情 |
| (B) | 36194 | N,N,N-trimethyl(phenyl)methanaminium | 4525-46-6 | C10H16N | 详情 | 详情 |
| (I) | 28747 | 2-methyl-1H-indole | 95-20-5 | C9H9N | 详情 | 详情 |
| (II) | 36192 | N,N-dimethyl-N-[(2-methyl-1H-indol-3-yl)methyl]amine; N,N-dimethyl(2-methyl-1H-indol-3-yl)methanamine | C12H16N2 | 详情 | 详情 | |
| (III) | 36193 | 3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indole | C13H13N3 | 详情 | 详情 | |
| (IV) | 10847 | Acrylonitrile | 107-13-1 | C3H3N | 详情 | 详情 |
| (V) | 36195 | 3-[3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indol-1-yl]propanenitrile | C16H16N4 | 详情 | 详情 | |
| (VI) | 14156 | methyl acrylate | 96-33-3 | C4H6O2 | 详情 | 详情 |
| (VII) | 36196 | methyl 3-[3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indol-1-yl]propanoate | C17H19N3O2 | 详情 | 详情 |
Extended Information