5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one -Drug Synthesis Database

【结构式】

【分子编号】37082

【品名】5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one

【CA登记号】72716-71-3

【分子式】C₁₂H₁₀N₄O₅

【分子量】290.23536

【元素组成】C 49.66% H 3.47% N 19.3% O 27.56%

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 ethyl 2-formyl-3-(3,4-methylenedioxyphenyl)propionate (I) with nitroguanidine (II) by means of sodium methoxide in refluxing methanol gives 2-nitroamino-5-(3,4-methylenedioxybenzyl)-4-pyrimidone (III), which is then condensed with 2-(5-methyl-4-imidazolylmethylthio)ethylamine (IV) in refluxing ethanol.

参考文献中间体

合成目标

【1】 Brown, T.H. (SmithKline Beecham plc); Process for preparing 2-aminopyrimidones, intermediate 2-nitroaminopyrimidones and a process for their preparation. EP 0004793 .
【2】 Blancafort, P.; Castaner, J.; Serradell, M.N.; Oxmetidine hydrochloride. Drugs Fut 1982, 7, 10, 749.

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)	37081	ethyl 3-(1,3-benzodioxol-5-yl)-2-formylpropanoate		C₁₃H₁₄O₅	详情	详情
(II)	15496	nitroguanidine	556-88-7	CH₄N₄O₂	详情	详情
(III)	37082	5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one	72716-71-3	C₁₂H₁₀N₄O₅	详情	详情
(IV)	34071	2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]-1-ethanamine; 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethylamine		C₇H₁₃N₃S	详情	详情

Extended Information