2-methyl-6-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile -Drug Synthesis Database

【结构式】

【分子编号】22738

【品名】2-methyl-6-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile

【CA登记号】

【分子式】C₇H₇N₃OS

【分子量】181.2182

【元素组成】C 46.4% H 3.89% N 23.19% O 8.83% S 17.69%

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 cyclization of acetamidine (I) with 2-cyano-3,3-bis(methylthio)-2-propenoic acid methyl ester (II) by means ot NaH in DMF gives 2-methyl-6-(methylthio)-4 oxo-1,4-dihydropyrimidine-5-carbonitrile (III), which is then condensed with 3-pyridylmethyl amine (IV) by refluxing in dimethoxyethane solution.

参考文献中间体

合成目标

【1】 Bagli, J.F. (American Home Products Corp.); Amino-pyrimidine derivs.. EP 0130735; ES 8602694; JP 1985025974; US 4505910 .
【2】 Prous, J.; Castaner, J.; Pelrinone hydrochloride. Drugs Fut 1988, 13, 8, 728.
【3】 Bagli, J.; Bogri, T.; Palameta, B.; Rakhit, S.; Peseckis, S.; McQuillan, J.; Lee, D.K.; Chemistry and positive inotropic effect of pelrino. J Med Chem 1988, 31, 4, 814-23.

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)	15866	ethanimidamide		C₂H₆N₂	详情	详情
(II)	22737	methyl 2-cyano-3,3-bis(methylsulfanyl)acrylate		C₇H₉NO₂S₂	详情	详情
(III)	22738	2-methyl-6-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile		C₇H₇N₃OS	详情	详情
(IV)	18731	3-pyridinylmethanamine; 3-pyridinylmethylamine	3731-52-0	C₆H₈N₂	详情	详情

Extended Information