6-(2,6-difluorobenzyl)-2-(isopropylsulfanyl)-5-methyl-4(3H)-pyrimidinone -Drug Synthesis Database

【结构式】

【分子编号】51825

【品名】6-(2,6-difluorobenzyl)-2-(isopropylsulfanyl)-5-methyl-4(3H)-pyrimidinone

【CA登记号】

【分子式】C₁₅H₁₆F₂N₂OS

【分子量】310.3677264

【元素组成】C 58.05% H 5.2% F 12.24% N 9.03% O 5.15% S 10.33%

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 isopropyl chloride (II) by means of K2CO3 gives 6-(2,6-difluorobenzyl)-2-(isopropylsulfanyl)-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.

参考文献中间体

合成目标

【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)	29984	2-chloropropane	75-29-6	C₃H₇Cl	详情	详情
(III)	51825	6-(2,6-difluorobenzyl)-2-(isopropylsulfanyl)-5-methyl-4(3H)-pyrimidinone		C₁₅H₁₆F₂N₂OS	详情	详情

Extended Information