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【结 构 式】 
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【分子编号】40403 【品名】1-phenethyl-1H-indole-2-carboxylic acid 【CA登记号】 |
【 分 子 式 】C17H15NO2 【 分 子 量 】265.31164 【元素组成】C 76.96% H 5.7% N 5.28% O 12.06% |
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：(IV)The alkylation of 1H-indole-2-carboxylic acid methyl ester (I) with 2-phenylethyl bromide (II) by means of NaH in DMF gives 1-(2-phenylethyl)-1H-indole-2-carboxylic acid methyl ester (II), with is hydrolyzed with NaOH in methanol/water yielding the corresponding free acid (IV). Finally, this compound is condensed with guanidine by means of CDI and TEA in THF/DMF.
| 【1】 Kitano, M.; Miyagishi, A.; Ohashi, N.; Noguchi, T.; Nakano, K.; Kojima, A.; Synthesis and biological activity of N-(aminoiminomethyl)-1H-indole carboxamide derivatives as Na+/H+ exchanger inhibitors. Chem Pharm Bull 1999, 47, 11, 1538. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 27750 | Indole-2-carboxylic acid methyl ester; 1H-indole-2-carboxylic acid methyl ester | 1202-04-6 | C10H9NO2 | 详情 | 详情 |
| (II) | 20730 | 1-(2-bromoethyl)benzene；1-Bromo-2-phenylethane;(2-Bromoethyl)benzene;Phenethyl bromide | 103-63-9 | C8H9Br | 详情 | 详情 |
| (III) | 40402 | methyl 1-phenethyl-1H-indole-2-carboxylate | C18H17NO2 | 详情 | 详情 | |
| (IV) | 40403 | 1-phenethyl-1H-indole-2-carboxylic acid | C17H15NO2 | 详情 | 详情 | |
| (V) | 14790 | Guanidine | 113-00-8 | CH5N3 | 详情 | 详情 |
Extended Information