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【结 构 式】 
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【分子编号】23258 【品名】4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenylamine; 4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroaniline 【CA登记号】 |
【 分 子 式 】C10H7BrClN3O 【 分 子 量 】300.5419 【元素组成】C 39.96% H 2.35% Br 26.59% Cl 11.8% N 13.98% O 5.32% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(III)1) The condensation of 4-amino-2-chlorophenol (I) with 5 bromo-2-chloropyrimidine (II) by means of K2CO3 in hot DMSO gives 4-(5-bromo-2-pyrimidinyloxy)-3-chloroaniline (III), which is then condensed with 2-nitrobenzoyl isocyanate (IV) in dioxane.
| 【1】 Haga, T.; Kondo, N.; Koyanagi, T.; Nakajima, T.; Sugi, H.; Watanabe, M.; Yamada, N.; Yokoyama, K. (Ishihara Sangyo Kaisha, Ltd.); Benzoyl urea cpds., process for their production, . CH 671576; EP 0192235; FR 2577551; GB 2171695; US 4727077 . |
| 【2】 Hoshi, A.; Prous, J.; Castaner, J.; HO-221. Drugs Fut 1988, 13, 9, 822. |
| 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) | 23256 | 2-Amino-4-chlorobenzoic acid; 4-Amino-2-chlorophenol | 3964-52-1 | C6H6ClNO | 详情 | 详情 |
| (II) | 21054 | 5-bromo-2-chloropyrimidine | C4H2BrClN2 | 详情 | 详情 | |
| (III) | 23258 | 4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenylamine; 4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroaniline | C10H7BrClN3O | 详情 | 详情 | |
| (IV) | 23259 | 2-nitrobenzoyl isocyanate | C8H4N2O4 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(III)2) The reaction of aniline (III) with phosgene in ethyl acetate gives 4-(5-bromo-2-pyrimidinyloxy)-3-chlorophenyl isocyanate (V), which is then condensed with 2-nitrobenzamide (VI) in refluxing toluene.
| 【1】 Haga, T.; Kondo, N.; Koyanagi, T.; Nakajima, T.; Sugi, H.; Watanabe, M.; Yamada, N.; Yokoyama, K. (Ishihara Sangyo Kaisha, Ltd.); Benzoyl urea cpds., process for their production, . CH 671576; EP 0192235; FR 2577551; GB 2171695; US 4727077 . |
| 【2】 Hoshi, A.; Prous, J.; Castaner, J.; HO-221. Drugs Fut 1988, 13, 9, 822. |
| 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) | 23256 | 2-Amino-4-chlorobenzoic acid; 4-Amino-2-chlorophenol | 3964-52-1 | C6H6ClNO | 详情 | 详情 |
| (II) | 21054 | 5-bromo-2-chloropyrimidine | C4H2BrClN2 | 详情 | 详情 | |
| (III) | 23258 | 4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenylamine; 4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroaniline | C10H7BrClN3O | 详情 | 详情 | |
| (V) | 23261 | 4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl isocyanate; 5-bromo-2-(2-chloro-4-isocyanatophenoxy)pyrimidine | C11H5BrClN3O2 | 详情 | 详情 | |
| (VI) | 23260 | 2-nitrobenzamide | 610-15-1 | C7H6N2O3 | 详情 | 详情 |
Extended Information