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【结 构 式】

【分子编号】19173

【品名】tert-butyl 3-[(ethanimidoylamino)methyl]benzylcarbamate

【CA登记号】

【 分 子 式 】C15H23N3O2

【 分 子 量 】277.36664

【元素组成】C 64.96% H 8.36% N 15.15% O 11.54%

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:(VII)

The reaction of m-xylenediamine (I) with triethylamine and di-tert-butyldicarbonate (II) gives the corresponding tert-butyl N-[3-(aminomethyl)benzyl] carbamate hydrochloride (III), which is converted into the tert-butyl N-[3-((acetimidoyl)aminomethyl]benzyl) carbamate hydrochloride (VII) by reaction with S-benzylthioacetimidate hydrochloride (VI). This intermediate (VI) could be obtained by reaction of thioacetamide (IV) with benzyl chloride (V). Finally, compound (VII) is deprotected with HCl to afford the corresponding N-[3-(aminomethyl)benzyl] acetamidine hydrochloride.

1 Itabashi, K.; Takido, T.; An efficient synthesis of unsymmetrical sulfides using liquid-liquid phase transfer catalysis. Synthesis 1987, 817.
2 Oplinger, J.A.; Garvey, E.P.; Furfine, E.S.; Shearer, B.G.; Collins, J.L. (Glaxo Wellcome plc); Acetamidine derivs. and their use as inhibitors for the nitric oxide synthase. EP 0799191; JP 1999500711; US 5866612; WO 9619440 .
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) 19167 3-(aminomethyl)benzylamine; [3-(aminomethyl)phenyl]methanamine 1477-55-0 C8H12N2 详情 详情
(II) 13214 Di-tert-butyldicarbonate; Dicarbonic acid bis(1,1-dimethylethyl) ester; dicarbonic acid di-tert-butyl ester pyrocarbonic acid di-tert-butyl ester; bis(1,1-dimethylethyl) dicarbonate di-tert-butyl pyrocarbonate 24424-99-5 C10H18O5 详情 详情
(III) 19169 tert-butyl N-[3-(aminomethyl)benzyl]carbamate; tert-butyl 3-(aminomethyl)benzylcarbamate 108467-99-8 C13H20N2O2 详情 详情
(IV) 19170 ethanethioamide 62-55-5 C2H5NS 详情 详情
(V) 19171 1-(Chloromethyl)benzene; Benzyl chloride 100-44-7 C7H7Cl 详情 详情
(VI) 19172 benzyl ethanimidothioate C9H11NS 详情 详情
(VII) 19173 tert-butyl 3-[(ethanimidoylamino)methyl]benzylcarbamate C15H23N3O2 详情 详情
Extended Information