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【结 构 式】 
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【分子编号】63651 【品名】5-amino-1-benzyl-2-hydroxy-1H-imidazole-4-carbonitrile 【CA登记号】 |
【 分 子 式 】C11H10N4O 【 分 子 量 】214.22676 【元素组成】C 61.67% H 4.71% N 26.15% O 7.47% |
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：(III)Condensation between aminomalononitrile (I) and benzyl isocyanate (II) produces imidazole (III). This is then cyclized with benzoyl isothiocyanate (IV) in the presence of NaOH to furnish the mercaptopurine derivative (V). Finally, alkylation of thiol (V) with 2-bromoethanol (VI) gives rise to the target hydroxyethyl sulfide.
| 【1】 Kawakami, H.; Ogino, T.; Kurimoto, A. (Japan Energy Corp.; Sumitomo Pharmaceuticals Co., Ltd.); Novel heterocyclic cpds.. EP 1035123; US 6329381; WO 9928321 . |
| 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) | 63650 | 2-aminomalononitrile | C3H3N3 | 详情 | 详情 | |
| (II) | 16730 | 1-(Isocyanatomethyl)benzene; Benzyl Isocyanate | 3173-56-6 | C8H7NO | 详情 | 详情 |
| (III) | 63651 | 5-amino-1-benzyl-2-hydroxy-1H-imidazole-4-carbonitrile | C11H10N4O | 详情 | 详情 | |
| (IV) | 23530 | benzoyl isothiocyanate | 532-55-8 | C8H5NOS | 详情 | 详情 |
| (V) | 63652 | 6-amino-9-benzyl-2-sulfanyl-9H-purin-8-ol | C12H11N5OS | 详情 | 详情 | |
| (VI) | 10059 | Ethylene bromohydrin; 2-Bromo-1-ethanol | 540-51-2 | C2H5BrO | 详情 | 详情 |
Extended Information