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【结 构 式】

【分子编号】57417

【品名】methyl N-(5-cyano-1H-imidazol-4-yl)pentanimidoate

【CA登记号】

【 分 子 式 】C10H14N4O

【 分 子 量 】206.24752

【元素组成】C 58.24% H 6.84% N 27.16% O 7.76%

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)

The reaction of 4-amino-1H-imidazole-5-carbonitrile (I) with trimethyl orthopentanoate (II) in hot DMF gives methyl N-(5-cyano-1H-imidazol-4-yl)pentanoimidate (III), which is then cyclized with benzoic hydrazide (IV) in hot DMF to yield the target triazolo-purine derivative.

1 Kurogi, Y.; Nishikawa, H.; Okamura, T. (Otsuka Pharmaceutical Co., Ltd.); Triazolopurine derivs, medicinal compsn. containing the derivs., adenosine A3 receptor compatibilizing agent, and asthmatic remedy. EP 1069126; US 6288070; WO 9951606 .
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) 52898 4(5)-Amino-1H-imidazole-5(4)-carbonitrile; 4(5)-Amino-5(4)-cyanoimidazole 5098-11-3 C4H4N4 详情 详情
(II) 57416 1,1,1-Trimethoxy-n-pentane; 1,1,1-Trimethoxypentane; ortho-N-Valeric acid trimethyl ester; Trimethyl orthovalerate 13820-09-2 C8H18O3 详情 详情
(III) 57417 methyl N-(5-cyano-1H-imidazol-4-yl)pentanimidoate C10H14N4O 详情 详情
(IV) 57418 4-(Trifluoromethyl)benzhydrazide; 4-(Trifluoromethyl)benzoic acid hydrazide; alpha,alpha,alpha-Trifluoro-p-toluic acid hydrazide 339-59-3 C8H7F3N2O 详情 详情
Extended Information