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【结 构 式】

【分子编号】63818

【品名】propyl 2-({2-[(2,2-dimethoxyethyl)amino]-2-oxoacetyl}amino)acetate

【CA登记号】

【 分 子 式 】C11H20N2O6

【 分 子 量 】276.28968

【元素组成】C 47.82% H 7.3% N 10.14% O 34.74%

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 bromo pyrazinone intermediate (VII) has been obtained as follows. The condensation of ethyl glycinate (I) with ethoxalyl chloride (II) by means of TEA in dichloroethane gives the corresponding amide (III), which is condensed with aminoacetaldehyde dimethyl acetal (IV) in isopropanol to yield the diamide (V). The cyclization of (V) by means of HCl in refluxing AcOH affords the hydroxypyrazinone (VI), which is finally treated with POBr3 in refluxing 1,2-dichloroethane to provide the target bromopyrazinone intermediate (VII) (1).

1 Selnick, H.G.; Newton, R.C.; Newton, C.L.; Barrow, J.C.; Nantermet, P.G. (Merck & Co., Inc.); Thrombin inhibitors. WO 0311222 .
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) 11043 Ethyl 2-chloro-2-oxoacetate; Ethyl oxalyl chloride 4755-77-5 C4H5ClO3 详情 详情
(II) 17568 methyl 2-aminoacetate C3H7NO2 详情 详情
(III) 63817 ethyl 2-oxo-2-[(2-oxo-2-propoxyethyl)amino]acetate C9H15NO5 详情 详情
(IV) 34158 aminoacetaldehyde dimethylacetal; 2,2-dimethoxy-1-ethanamine; 2,2-dimethoxyethylamine 22483-09-6 C4H11NO2 详情 详情
(V) 63818 propyl 2-({2-[(2,2-dimethoxyethyl)amino]-2-oxoacetyl}amino)acetate C11H20N2O6 详情 详情
(VI) 63819 propyl 2-[3-hydroxy-2-oxo-1(2H)-pyrazinyl]acetate C9H12N2O4 详情 详情
(VII) 63820 propyl 2-[3-bromo-2-oxo-1(2H)-pyrazinyl]acetate C9H11BrN2O3 详情 详情
Extended Information