(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfanyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol -Drug Synthesis Database

【结构式】

【分子编号】45165

【品名】(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfanyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

【CA登记号】

【分子式】C₁₃H₁₅F₂N₃OS

【分子量】299.3445264

【元素组成】C 52.16% H 5.05% F 12.69% N 14.04% O 5.34% S 10.71%

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：(II)

The ring opening of epoxide (I) [the unlabeled epoxide (VI) of the previous synthesis (scheme 14695202a)] with [14C]-labeled sodium methylmercaptane in methanol gives the thio ether (II), which is then oxidized with H2O2 and sodium tungstate in methanol.

参考文献中间体

合成目标

【1】 Koharski, D.; Saluja, S.; Hesk, D.; Bowlen, C.; Duelfer, T.; McNamara, P.; Synthesis of SCH 42427 labelled with 14C in two different positions. J Label Compd Radiopharm 1992, 31, 6, 445.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	13114	1-[[(2S,3S)-2-(2,4-Difluorophenyl)-3-methyloxiranyl]methyl]-1H-1,2,4-triazole	C₁₂H₁₁F₂N₃O	详情	详情
(II)	13108	(2R,3R)-2-(2,4-Difluorophenyl)-3-(methylsulfanyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol	C₁₃H₁₅F₂N₃OS	详情	详情
(II)	45165	(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfanyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol	C₁₃H₁₅F₂N₃OS	详情	详情

Extended Information