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【结 构 式】 
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【药物名称】 【化学名称】6-(3-Methylbenzyl)-2-(1-methylpropoxy)pyrimidin-4(3H)-one 【CA登记号】 【 分 子 式 】C16H20N2O2 【 分 子 量 】272.35 |
【开发单位】 【药理作用】 |
合成路线1
Condensation of 4-(3-methylphenyl)-3-oxobutanoic acid methyl ester (I) with O-methyl isourea (II) led to the formation of 6-(3-methylbenzyl)-3,4-dihydro-2-methoxy-4-oxopyrimidine (III). Subsequent displacement of the methoxy group linked at C-2 of the pyrimidine ring by treatment with sec-butoxy potassium salt furnished 2-sec-butoxy-5-methyl-6-benzyl-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) | 26657 | O-methyl isourea; [Amino(imino)methoxy]methane | 52328-05-9 | C2H6N2O | 详情 | 详情 |
| (III) | 51788 | 2-methoxy-6-(3-methylbenzyl)-4(3H)-pyrimidinone | C13H14N2O2 | 详情 | 详情 | |
| (IV) | 51779 | sodium 2-butanolate | C4H9NaO | 详情 | 详情 |
Extended Information