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【结 构 式】 
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【分子编号】64201 【品名】ethyl 5-chloro-1H-indole-2-carboxylate 【CA登记号】 |
【 分 子 式 】C11H10ClNO2 【 分 子 量 】223.65864 【元素组成】C 59.07% H 4.51% Cl 15.85% N 6.26% O 14.31% |
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：(I)Sulfenylation of the Grignard reagent derived from ethyl 5-chloroindole-2-carboxylate (I) with S-phenyl benzenethiosulfonate affords the 3-phenylsulfanyl indole (II). This is then alkylated with 4-chlorobenzyl chloride (III) in the presence of potassium hexamethyldisilazide to yield the N-benzyl indole derivative (IV). Finally, hydrolysis of ethyl ester (IV) by means of potassium trimethylsilanolate under anhydrous conditions produces the target carboxylic acid (1,2).
| 【1】 Yamamoto, H.; et al. (Sumitomo Chemical Co., Ltd.); 3-Hetero-substd.-N-benzyl-indoles. US 3907812 . |
| 【2】 Gillard, J.W.; Morton, H.E.; Fortin, R.; Guindon, Y. (Merck Frosst Canada Inc.); 3-Hetero-substd.-N-benzyl-indoles and prevention of leucotriene synthesis therewith. US 5081138 . |
| 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) | 64201 | ethyl 5-chloro-1H-indole-2-carboxylate | C11H10ClNO2 | 详情 | 详情 | |
| (II) | 64202 | ethyl 5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylate | C17H14ClNO2S | 详情 | 详情 | |
| (III) | 10356 | 1-Chloro-4-(chloromethyl)benzene; 4-Chlorobenzyl chloride | 104-83-6 | C7H6Cl2 | 详情 | 详情 |
| (IV) | 64203 | ethyl 5-chloro-1-(4-chlorobenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylate | C24H19Cl2NO2S | 详情 | 详情 |
Extended Information