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【结 构 式】 
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【分子编号】51828 【品名】6-(2,6-difluorobenzyl)-5-methyl-2-(methylsulfanyl)-4(3H)-pyrimidinone 【CA登记号】 |
【 分 子 式 】C13H12F2N2OS 【 分 子 量 】282.3139664 【元素组成】C 55.31% H 4.28% F 13.46% N 9.92% O 5.67% S 11.36% |
合成路线1
该中间体在本合成路线中的序号：(II)The alkylation of 6-(2,6-difluorobenzyl)-5-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one (I) with methyl chloride by means of K2CO3 gives 6-(2,6-difluorobenzyl)-5-methyl-2-(methylsulfanyl)pyridmidin-4(3H)-one (II), 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. |
合成路线2
该中间体在本合成路线中的序号：(I)The reaction of 6-(2,6-difluorobenzyl)-5-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one (I) with isopropylamine (II) gives the target aminopyrimidinone.
| 【1】 Artico, M.; Selected non-nucleoside reverse transcriptase inhibitors (NNRTIs): the DABOs family. Drugs Fut 2002, 27, 2, 159. |
合成路线3
该中间体在本合成路线中的序号：(I)The reaction of 6-(2,6-difluorobenzyl)-5-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one (I) with N-isopropyl-N-methylamine (II) gives the target aminopyrimidinone.
| 【1】 Artico, M.; Selected non-nucleoside reverse transcriptase inhibitors (NNRTIs): the DABOs family. Drugs Fut 2002, 27, 2, 159. |
合成路线4
该中间体在本合成路线中的序号：(I)The reaction of 6-(2,6-difluorobenzyl)-5-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one (I) with dimethylamine (II) gives the target aminopyrimidinone.
| 【1】 Artico, M.; Selected non-nucleoside reverse transcriptase inhibitors (NNRTIs): the DABOs family. Drugs Fut 2002, 27, 2, 159. |