• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【分子编号】33294

【品名】1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole; 3-(4-chlorophenyl)-1-(1H-imidazol-1-ylmethyl)propyl 2,6-dichlorophenyl sulfide

【CA登记号】

【 分 子 式 】C19H17Cl3N2S

【 分 子 量 】411.78156

【元素组成】C 55.42% H 4.16% Cl 25.83% N 6.8% S 7.79%

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)

The chlorohydrin (II) is obtained by the reaction of p-chlorobenzylmagnesium chloride (I) with epichlorohydrin (A) in ether. This is then converted to the crystalline alcohol (III) by reaction with sodium imidazole (B) in DMF. On treatment with thionyl chloride is converted to the corresponding chloro compound (IV). When (IV) is reacted with 2,6-dichloro thiophenol (C) in the presence of anhydrous potassium carbonate in acetone, the free base of butoconazole is formed. Neutralization of the free base (V) with nitric acid gives butoconazole.

1 Walker, K.A.M.; et al.; 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenylthio)n-butil]-1H-imidazole nitrate, a new patent antifungal agent. J Med Chem 1978, 21, 8, 840.
2 Arya, V.P.; Butoconazole nitrate. Drugs Fut 1979, 4, 2, 89.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(A) 10146 Epichlorohydrin; 2-(Chloromethyl)oxirane 106-89-8 C3H5ClO 详情 详情
(B) 10255 Imidazole; 1H-Imidazole 288-32-4 C3H4N2 详情 详情
(I) 33290 Bromo(4-chlorobenzyl)magnesium; p-Chlorobenzylmagnesium chloride C7H6BrClMg 详情 详情
(II) 33291 1-chloro-4-(4-chlorophenyl)-2-butanol C10H12Cl2O 详情 详情
(III) 16486 4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol C13H15ClN2O 详情 详情
(IV) 33292 1-[2-chloro-4-(4-chlorophenyl)butyl]-1H-imidazole C13H14Cl2N2 详情 详情
(V) 33294 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole; 3-(4-chlorophenyl)-1-(1H-imidazol-1-ylmethyl)propyl 2,6-dichlorophenyl sulfide C19H17Cl3N2S 详情 详情
(C) 33293 2,6-Dichloro thiophenol; 2,6-Dichlorobenzenethiol; 2,6-Dichlorophenylhydrosulfide 24966-39-0 C6H4Cl2S 详情 详情
Extended Information