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【结 构 式】 
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【分子编号】32559 【品名】N-cyano-N'-[4-(4-methyl-1-piperazinyl)phenyl]thiourea 【CA登记号】 |
【 分 子 式 】C13H17N5S 【 分 子 量 】275.37768 【元素组成】C 56.7% H 6.22% N 25.43% S 11.64% |
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)Treatment of 1-(4-aminophenyl)-4-methylpiperazine (I) with thiophosgene and Na2CO3 afforded isothiocyanate (II). Subsequent condensation of (II) with cyanamide in the presence of potassium tert-butoxide, followed by reaction of the resulting intermediate (IV) with 2-chloro-2',6'-difluoroacetophenone (V) produced the title aminothiazole.
| 【1】 Yang, Y.; Xiao, W.; Chu, S.S.; Li, L.; Chong, W.K.M.; Duvadie, R.R. (Agouron Pharmaceuticals, Inc.); 4-Aminothiazole derivs., their preparation and their use as inhibitors of cyclin-dependent kinases. WO 9921845 . |
| 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) | 31836 | 4-(4-methyl-1-piperazinyl)phenylamine; 4-(4-methyl-1-piperazinyl)aniline | C11H17N3 | 详情 | 详情 | |
| (II) | 32558 | 4-(4-methyl-1-piperazinyl)phenyl isothiocyanate; 1-(4-isothiocyanatophenyl)-4-methylpiperazine | C12H15N3S | 详情 | 详情 | |
| (III) | 19648 | Cyanamide | 420-04-2 | CH2N2 | 详情 | 详情 |
| (IV) | 32559 | N-cyano-N'-[4-(4-methyl-1-piperazinyl)phenyl]thiourea | C13H17N5S | 详情 | 详情 | |
| (V) | 32560 | 2-chloro-1-(2,6-difluorophenyl)-1-ethanone | C8H5ClF2O | 详情 | 详情 |
Extended Information