1198785-52-2

Basic information

• Product Name: 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one
• Synonyms: 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one
• CAS NO: 1198785-52-2
• Molecular Weight: 327.116
• Mol File: 1198785-52-2.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one(1198785-52-2)
• EPA Substance Registry System: 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one(1198785-52-2)

Safety Data

• Hazardous Substances Data: 1198785-52-2(Hazardous Substances Data)

Upstream product

• 1198785-51-1 3-(2-bromo-4-fluorophenyl)-3-methylbutanoic acid 
• 76-05-1 trifluoroacetic acid 
• 400-31-7 1,1,1-trifluoro-4-methyl-pent-3-en-2-one 
• 202865-73-4 2-bromo-4-fluoro-1-iodobenzene 
• 1429053-34-8 5-(2-(2-bromo-4-fluorophenyl)propan-2-yl)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 2231-66-5 2,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 1198785-53-3 5-fluoro-2-(5,5,5-trifluoro-2-methyl-4-oxopentan-2-yl)benzoic acid 
• 1198785-54-4 (S)-5-fluoro-N-(1-(4-methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-methyl-4-oxopentan-2-yl)benzamide 
• 1429053-31-5 C₂₁H₂₁F₄NO₃ 
• 1198785-55-5 5-fluoro-2-((S)-4-hydroxy-2-methyl-4-(trifluoromethyl)hept-6-yn-2-yl)-N-((S)-1-(4-methoxyphenyl)ethyl)benzamide 
• 1198785-38-4 (S)-5-fluoro-2-(4-hydroxy-2-methyl-4-(trifluoromethyl)hept-6-yn-2-yl)benzamide 
• 1429053-33-7 tert-butyl-6-(ethylsulfonyl)-4-((S)-6-(4-fluoro-2-((S)-1-(4-methoxyphenyl)ethylcarbamoyl)phenyl)-4-hydroxy-6-methyl-4-(trifluoromethyl)hept-1-ynyl)pyridin-3-ylcarbamate 
• 1198785-56-6 2-((R)-4-((5-(ethylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluoro-N-((S)-1-(4-methoxyphenyl)ethyl)benzamide 
• 1429053-35-9 (R)-2-(4-((5-(ethylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluorobenzoic acid 
• 1257648-84-2 5-fluoro-2-((S)-4-hydroxy-2-methyl-4-(trifluoromethyl)-7-(trimethylsilyl)hept-6-yn-2-yl)-N-((S)-1-(4-methoxyphenyl)ethyl)benzamide 
• 1429053-30-4 (S)-5-fluoro-N-(1-(4-methoxyphenyl)ethyl)-2-(2-methyl-1-(2-(trifluoromethyl)-1,3-dioxolan-2-yl)propan-2-yl)benzamide 
• 1429053-29-1 2-(2-(2-bromo-4-fluorophenyl)-2-methylpropyl)-2-(trifluoromethyl)-1,3-dioxolane 
• 1198784-72-3 (R)-2-(4-((5-(ethylsulfonyl)-1H-pyrroio[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluorobenzamide 
• 1429301-73-4 (R)-6-(2-bromo-4-fluorophenyl)-6-methyl-4-(trifluoromethyl)-1-(trimethylsilyl)hept-1-yn-4-ol 

Relevant articles and documents

Development of a large scale asymmetric synthesis of the glucocorticoid agonist BI 653048 BS H3PO4

The development of a large scale synthesis of the glucocorticoid agonist BI 653048 BS H3PO4 (1·H3PO4) is presented. A key trifluoromethyl ketone intermediate 22 containing an N-(4-methoxyphenyl)ethyl amide was prepared by an enolization/bromine-magnesium exchange/electrophile trapping reaction. A nonselective propargylation of trifluoromethyl ketone 22 gave the desired diastereomer in 32% yield and with dr = 98:2 from a 1:1 diastereomeric mixture after crystallization. Subsequently, an asymmetric propargylation was developed which provided the desired diastereomer in 4:1 diastereoselectivity and 75% yield with dr = 99:1 after crystallization. The azaindole moiety was efficiently installed by a one-pot cross coupling/indolization reaction. An efficient deprotection of the 4-methoxyphenethyl group was developed using H3PO4/anisole to produce the anisole solvate of the API in high yield and purity. The final form, a phosphoric acid cocrystal, was produced in high yield and purity and with consistent control of particle size.

SYNTHESIS OF CERTAIN TRIFLUOROMETHYL KETONES

A process for synthesis of a compound of Formula (X) wherein R1 is an aryl group substituted with one to three substituent groups, wherein each substituent group of R1 is independently C1-C5 alkyl, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, halogen, carboxy, cyano, or trifluoromethyl, wherein each substituent group of R1 is optionally independently substituted with one to three substituents selected from C1-C3 alkyl, C1-C3 alkoxy, phenyl, and alkoxyphenyl; and R2 and R3 are each independently C1-C5 alkyl.