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【结 构 式】 
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【药物名称】 【化学名称】2-(Butylsulfanyl)-6-(2,6-difluorobenzyl)pyrimidin-4(3H)-one 【CA登记号】 【 分 子 式 】C15H16F2N2OS 【 分 子 量 】310.36837 |
【开发单位】 【药理作用】 |
合成路线1
The condensation of 2-(2,6-difluorophenyl)acetic acid (I) with malonic acid monoethyl ester sodium salt (II) gives 4-(2,6-difluorophenyl)-3-oxobutyric acid ethyl ester (III), which is cyclized with thiourea (IV) to yield 6-(2,6-difluorobenzyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one (V). Finally this compound is reacted with butyl chloride (VI) by means of K2CO3 to afford the target pyrimidinone.
| 【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) | 51809 | 2,6-Difluorophenylacetic acid | 85068-28-6 | C8H6F2O2 | 详情 | 详情 |
| (II) | 14338 | potassium 3-ethoxy-3-oxopropanoate | 6148-64-7 | C5H7KO4 | 详情 | 详情 |
| (III) | 51810 | ethyl 4-(2,6-difluorophenyl)-3-oxobutanoate | C12H12F2O3 | 详情 | 详情 | |
| (IV) | 10180 | Thiourea | 62-56-6 | CH4N2S | 详情 | 详情 |
| (V) | 51811 | 6-(2,6-difluorobenzyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | C11H8F2N2OS | 详情 | 详情 | |
| (VI) | 51818 | n-Butyl chloride; Butyl chloride; N-Propylcarbinyl chloride; 1-Chlorobutane | 109-69-3 | C4H9Cl | 详情 | 详情 |
Extended Information