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【结 构 式】 
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【分子编号】43775 【品名】6-chloro-5-(methylsulfanyl)indoline; 6-chloro-2,3-dihydro-1H-indol-5-yl methyl sulfide 【CA登记号】 |
【 分 子 式 】C9H10ClNS 【 分 子 量 】199.70384 【元素组成】C 54.13% H 5.05% Cl 17.75% N 7.01% S 16.06% |
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 heating of nicotinoyl azide (I) in refluxing toluene gives the corresponding isocyanate (II), which without isolation is condensed with 6-chloro-5-(methylsulfanyl)indoline (IV) to afford the target compound. Intermediate indoline (IV) is obtained by reduction of 6-chloro-5-(methylsulfanyl)indole (III) with NaBH3CN in HOAc.
| 【1】 Ham, P.; Jones, G.E.; Forbes, I.T. (SmithKline Beecham plc); Indoline derivs. as 5HT2C antagonists. EP 0707581; JP 1996512299; US 5834494; WO 9501976 . |
| 【2】 Davies, D.T.; Bromidge, S.M.; Dabbs, S.; et al.; Model studies on a synthetically facile series of N-substituted phenyl-N'-pyridin-3-yl ureas leading to 1-(3-pyridylcarbamoyl)indolines that are potent and selective 5-HT2C/2B receptor antagonists. Bioorg Med Chem 1999, 7, 12, 2767. |
| 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) | 13619 | Nicotinoyl azide | C6H4N4O | 详情 | 详情 | |
| (II) | 27045 | 3-isocyanatopyridine | 15268-31-2 | C6H4N2O | 详情 | 详情 |
| (III) | 43774 | 6-chloro-5-(methylsulfanyl)-1H-indole; 6-chloro-1H-indol-5-yl methyl sulfide | C9H8ClNS | 详情 | 详情 | |
| (IV) | 43775 | 6-chloro-5-(methylsulfanyl)indoline; 6-chloro-2,3-dihydro-1H-indol-5-yl methyl sulfide | C9H10ClNS | 详情 | 详情 |
Extended Information