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【结 构 式】 
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【药物名称】 【化学名称】2-(Cyclohexylsulfanyl)-6-(3-methylbenzyl)pyrimidin-4(3H)-one 【CA登记号】 【 分 子 式 】C18H22N2OS 【 分 子 量 】314.45284 |
【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 cyclohexyl chloride (IV) in alkaline medium afforded the required 2-(cyclohexylthio)-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) | 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) | 51795 | chlorocyclohexane; Hexahydrochlorobenzene; Cyclohexyl chloride | 542-18-7 | C6H11Cl | 详情 | 详情 |
Extended Information