2-(cyclopentylsulfanyl)-6-(2,6-difluorobenzyl)-4(3H)-pyrimidinone -Drug Synthesis Database

【结构式】

【分子编号】51829

【品名】2-(cyclopentylsulfanyl)-6-(2,6-difluorobenzyl)-4(3H)-pyrimidinone

【CA登记号】

【分子式】C₁₆H₁₆F₂N₂OS

【分子量】322.3787264

【元素组成】C 59.61% H 5% F 11.79% N 8.69% O 4.96% S 9.95%

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)-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-one (I) with cyclopentyl chloride (II) by means of K2CO3 gives 2-(cyclopentylsulfanyl)-6-(2,6-difluorobenzyl)pyridmidin-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)	51811	6-(2,6-difluorobenzyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone		C₁₁H₈F₂N₂OS	详情	详情
(II)	51794	1-Chlorocyclopentane; Chlorocyclopentane; cyclopentyl chloride	930-28-9	C₅H₉Cl	详情	详情
(III)	51829	2-(cyclopentylsulfanyl)-6-(2,6-difluorobenzyl)-4(3H)-pyrimidinone		C₁₆H₁₆F₂N₂OS	详情	详情

Extended Information