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【结 构 式】

【分子编号】63652

【品名】6-amino-9-benzyl-2-sulfanyl-9H-purin-8-ol

【CA登记号】

【 分 子 式 】C12H11N5OS

【 分 子 量 】273.31844

【元素组成】C 52.73% H 4.06% N 25.62% O 5.85% S 11.73%

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:(V)

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