-Drug Synthesis Database

【结构式】

【药物名称】

【化学名称】2-[2-Butenylsulfanyl]-6-(3-methylbenzyl)pyrimidin-4(3H)-one

【CA登记号】

【分子式】C₁₆H₁₈N₂OS

【分子量】286.39866

【开发单位】

【药理作用】　

合成路线1

When 4-(3-methylphenyl-3-oxobutanoic acid methyl ester (I) were reacted with thiourea (II), in the presence of sodium methoxide, condensation occurred with formation of 3,4-dihydro-6-(3-methylbenzyl)-4-oxo-2-thioxopyrimidine (III). Reaction of the compound (III) with 1-chloro-but-2-ene (IV) in alkaline medium afforded the required 2-but-2-enylthio)-6-(3-methylbenzyl)-3,4-dihydro-4-oxopyrimidine

参考文献中间体

【1】 Artico, M.; Selected non-nucleoside reverse transcriptase inhibitors (NNRTIs): the DABOs family. Drugs Fut 2002, 27, 2, 159.

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)	51787	methyl (Z)-3-hydroxy-4-(3-methylphenyl)-2-butenoate		C₁₂H₁₄O₃	详情	详情
(II)	10180	Thiourea	62-56-6	CH₄N₂S	详情	详情
(III)	51801	6-(3-methylbenzyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone		C₁₂H₁₂N₂OS	详情	详情
(IV)	36218	(E)-1-chloro-2-butene		C₄H₇Cl	详情	详情

Extended Information