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【结 构 式】

【分子编号】47295

【品名】4-[[5-(chloromethyl)-1H-imidazol-1-yl]methyl]benzonitrile

【CA登记号】

【 分 子 式 】C12H10ClN3

【 分 子 量 】231.68432

【元素组成】C 62.21% H 4.35% Cl 15.3% N 18.14%

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:(XXIII)

In a further procedure, bromide (XV) was reacted with hexamethylenetetramine in refluxing EtOH followed by acid hydrolysis to produce the benzyl amine (XX). Mercapto imidazole (XXII) was then obtained by condensation of amine (XX) with dihydroxyacetone (XXI) and KSCN. Subsequent oxidative desulfuration gave the hydroxymethyl imidazole (XVIII). This was converted to the corresponding chloride (XXIII) by treatment with either SOCl2 in DMF or the Vilsmeier reagent. Finally, chloride (XXIII) was condensed with piperazinone (VIII) in the presence of diisopropylethylamine.

1 Cowen, J.A.; Askin, D.; McWilliams, J.C.; Maligres, P.E.; McCauley, J.A. (Merck & Co., Inc.); Process for making farnesyl-protein transferase inhibitors. WO 0001691 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VIII) 47289 1-(3-chlorophenyl)-2-piperazinone C10H11ClN2O 详情 详情
(XV) 14200 4-(Bromomethyl)benzonitrile; alpha-Bromo-p-tolunitrile 17201-43-3 C8H6BrN 详情 详情
(XVIII) 38389 4-[[5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]benzonitrile C12H11N3O 详情 详情
(XX) 47293 4-(aminomethyl)benzonitrile C8H8N2 详情 详情
(XXI) 14575 Dihydroxyacetone; 1,3-dihydroxyacetone 96-26-4 C3H6O3 详情 详情
(XXII) 47294 4-[[5-(hydroxymethyl)-2-sulfanyl-1H-imidazol-1-yl]methyl]benzonitrile C12H11N3OS 详情 详情
(XXIII) 47295 4-[[5-(chloromethyl)-1H-imidazol-1-yl]methyl]benzonitrile C12H10ClN3 详情 详情
Extended Information