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【结 构 式】 
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【药物名称】 【化学名称】2-(Cyclopentylsulfanyl)-5-methyl-6-(3-methylbenzyl)pyrimidin-4(3H)-one 【CA登记号】 【 分 子 式 】C18H22N2OS 【 分 子 量 】314.45284 |
【开发单位】Istituto Superiore di Sanità(Originator), Università degli Studi di Cagliari (Originator) 【药理作用】AIDS Medicines, Anti-HIV Agents, ANTIINFECTIVE THERAPY, Reverse Transcriptase Inhibitors |
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 cyclopentyl chloride (IV) in alkaline medium afforded the required 2-(cyclopentylthio)-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) | 51794 | 1-Chlorocyclopentane; Chlorocyclopentane; cyclopentyl chloride | 930-28-9 | C5H9Cl | 详情 | 详情 |