2-methyl-1-[4-(trifluoromethyl)phenyl]-1-propanol -Drug Synthesis Database

【结构式】

【分子编号】56167

【品名】2-methyl-1-[4-(trifluoromethyl)phenyl]-1-propanol

【CA登记号】

【分子式】C₁₁H₁₃F₃O

【分子量】218.2188296

【元素组成】C 60.55% H 6% F 26.12% O 7.33%

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：(VI)

In a different approach, addition of isopropylmagnesium bromide to 4-(trifluoromethyl)benzaldehyde (V) afforded alcohol (VI), which was further oxidized to the corresponding ketone (VII) by treatment with pyridinium chlorochromate. Bromination of 4'-(trifluoromethyl)isobutyrophenone (VII) in HOAc provided bromo ketone (VIII). Sulfide (IV) was then obtained by displacement of the bromide group of (VIII) with sodium methanethiolate.

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	CAS号	分子式	供应商	用于合成
(IV)	56166	2-methyl-2-(methylsulfanyl)-1-[4-(trifluoromethyl)phenyl]-1-propanone		C₁₂H₁₃F₃OS	详情	详情
(V)	13380	4-(Trifluoromethyl)benzaldehyde; alpha,alpha,alpha-Trifluoro-p-tolualdehyde	455-19-6	C₈H₅F₃O	详情	详情
(VI)	56167	2-methyl-1-[4-(trifluoromethyl)phenyl]-1-propanol		C₁₁H₁₃F₃O	详情	详情
(VII)	56168	2-methyl-1-[4-(trifluoromethyl)phenyl]-1-propanone		C₁₁H₁₁F₃O	详情	详情
(VIII)	56169	2-bromo-2-methyl-1-[4-(trifluoromethyl)phenyl]-1-propanone		C₁₁H₁₀BrF₃O	详情	详情

Extended Information