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【结 构 式】 
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【分子编号】51826 【品名】2-(cyclohexylsulfanyl)-6-(2,6-difluorobenzyl)-5-methyl-4(3H)-pyrimidinone 【CA登记号】 |
【 分 子 式 】C18H20F2N2OS 【 分 子 量 】350.4324864 【元素组成】C 61.69% H 5.75% F 10.84% N 7.99% O 4.57% S 9.15% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(III)The alkylation of 6-(2,6-difluorobenzyl)-5-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one (I) with cyclohexyl chloride (II) by means of K2CO3 gives 2-(cyclohexylsulfanyl)-6-(2,6-difluorobenzyl)-5-methylpyridmidin-4(3H)-one (III), which is then methylated with Me-Cl and LDA in THF/HMPA to yield the target alpha-methylbenzyl 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) | 51815 | 6-(2,6-difluorobenzyl)-5-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | C12H10F2N2OS | 详情 | 详情 | |
| (II) | 51795 | chlorocyclohexane; Hexahydrochlorobenzene; Cyclohexyl chloride | 542-18-7 | C6H11Cl | 详情 | 详情 |
| (III) | 51826 | 2-(cyclohexylsulfanyl)-6-(2,6-difluorobenzyl)-5-methyl-4(3H)-pyrimidinone | C18H20F2N2OS | 详情 | 详情 |
Extended Information