2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone -Drug Synthesis Database

【结构式】

【分子编号】56165

【品名】2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone

【CA登记号】

【分子式】C₁₁H₁₁F₃OS

【分子量】248.2689496

【元素组成】C 53.22% H 4.47% F 22.96% O 6.44% S 12.92%

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 intermediate 2-(methylsulfanyl)-4'-(trifluoromethyl)isobutyrophenone (IV) was prepared by two alternative procedures. Reaction of bromo ketone (I) with sodium methanethiolate provided sulfide (II). Subsequent two step dimethylation of acetophenone (II) with CH3I and NaI gave rise to the isobutyrophenone (IV), through the intermediate propiophenone (III).

参考文献中间体

合成目标

【1】 Tokizawa, M.; Kanamaru, Y.; Matsumoto, M.; Asaoka, T.; Matsuda, H.; Kuraishi, T.; Maebashi, K.; Taido, N.; Kawahara, R. (SSP Co., Ltd.); Triazole derivs.. EP 0435081; JP 1991223266; US 5147886 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	56163	4-(Trifluoromethyl)phenacyl bromide	C₉H₆BrF₃O	详情	详情
(II)	56164	2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]-1-ethanone	C₁₀H₉F₃OS	详情	详情
(III)	56165	2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone	C₁₁H₁₁F₃OS	详情	详情
(IV)	56166	2-methyl-2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone	C₁₂H₁₃F₃OS	详情	详情

Extended Information