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【结 构 式】

【药物名称】

【化学名称】2-(Isobutylsulfanyl)-5-methyl-6-(3-methylbenzyl)pyrimidin-4(3H)-one

【CA登记号】

【 分 子 式 】C17H22N2OS

【 分 子 量 】302.44169

【开发单位】

【药理作用】 

合成路线1

When 2-methyl-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 5-methyl-3,4-dihydro-6-(3-methylbenzyl)-4-oxo-2-thioxopyrimidine (III). Reaction of compound (III) with isobutyl chloride (IV) in alkaline medium afforded the required 2-(isobutylthio)-5-methyl-6-(3-methylbenzyl)-3,4-dihydro-4-oxopyrimidine

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) 51785 methyl (Z)-3-hydroxy-2-methyl-4-(3-methylphenyl)-2-butenoate C13H16O3 详情 详情
(II) 10180 Thiourea 62-56-6 CH4N2S 详情 详情
(III) 51799 5-methyl-6-(3-methylbenzyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone C13H14N2OS 详情 详情
(IV) 13624 1-Chloro-2-methylpropane; Isobutyl chloride 513-36-0 C4H9Cl 详情 详情
Extended Information