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

【结构式】

【分子编号】51819

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

【CA登记号】

【分子式】C₁₆H₁₈F₂N₂OS

【分子量】324.3946064

【元素组成】C 59.24% H 5.59% F 11.71% N 8.64% O 4.93% S 9.88%

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 butyl chloride (II) by means of K2CO3 gives 2-(butylsulfanyl)-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.

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)	51818	n-Butyl chloride; Butyl chloride; N-Propylcarbinyl chloride; 1-Chlorobutane	109-69-3	C₄H₉Cl	详情	详情
(III)	51819	2-(butylsulfanyl)-6-(2,6-difluorobenzyl)-5-methyl-4(3H)-pyrimidinone		C₁₆H₁₈F₂N₂OS	详情	详情

Extended Information