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【结 构 式】

【分子编号】26764

【品名】tert-butyl 3-[1H-benzimidazol-2-yl(methyl)amino]propyl(methyl)carbamate

【CA登记号】

【 分 子 式 】C17H26N4O2

【 分 子 量 】318.4192

【元素组成】C 64.13% H 8.23% N 17.6% O 10.05%

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:(IV)

The reaction of 2-chlorobenzimidazole (I) with N,N'-dimethylprolylene-1,3-diamine (II) by heating at 130 C gives N-(1H-benzimidazol-2-yl)-N,N'-dimethylpropylene-1,3-diamine (III), which is treated with tert-butoxycarbonyl anhydride yielding the carbamate (IV). The condensation of (IV) with 4-fluorobenzyl chloride (V) by means of K2CO3 in DMF affords N-(benzyloxycarbonyl)-N'-[1-(4-fluorobenzyl)benzimidazol-2-yl)-N,N'-dimethylpropylene-1,3-diamine (VI), which is deprotected with trifluoroacetic acid providing the secondary amine (VII). Finally, this compound is condensed with phenyl N-[3,5-bis(trifluoromethyl)benzyl]carbamate (VIII) by heating at 120 C.

1 Kamikawaji, Y.; Tanikawa, K.; Yamamoto, A.; Hirotsuka, M.; Iwama, T.; Fujita, Y. (Nissan Chemical Industry, Ltd.); Benzimidazole deriv.. EP 0980359; JP 1999315071; US 6114369; WO 9850368 .
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) 26761 2-chloroimidazo[1,2-a]pyridine; 2-chlorobenzimidazole; 2-Amino-4'-chlorodiphenylether; 2-Aminodiphenylether; 2-chloro-1H-benzimidazole 4857-06-1 C7H5ClN2 详情 详情
(II) 26762 N-methyl-N-[3-(methylamino)propyl]amine 111-33-1 C5H14N2 详情 详情
(III) 26763 N(1)-(1H-benzimidazol-2-yl)-N(1),N(3)-dimethyl-1,3-propanediamine C12H18N4 详情 详情
(IV) 26764 tert-butyl 3-[1H-benzimidazol-2-yl(methyl)amino]propyl(methyl)carbamate C17H26N4O2 详情 详情
(V) 12354 4-Fluorobenzyl chloride; 1-(Chloromethyl)-4-fluorobenzene 352-11-4 C7H6ClF 详情 详情
(VI) 26765 tert-butyl 3-[[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl](methyl)amino]propyl(methyl)carbamate C24H31FN4O2 详情 详情
(VII) 26766 N-[1-(4-fluorobenzyl)-1H-benzimidazol-2-yl]-N-methyl-N-[3-(methylamino)propyl]amine C19H23FN4 详情 详情
(VIII) 26767 phenyl 3,5-bis(trifluoromethyl)benzylcarbamate C16H11F6NO2 详情 详情
Extended Information