1198785-54-4

Basic information

• Product Name: (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide
• Synonyms: (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide;5-Fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4,4,4-trifluoro-1,1-dimethyl-3-oxobutyl)benzamide
• CAS NO: 1198785-54-4
• Molecular Weight: 425.423
• EINECS: -0
• Mol File: 1198785-54-4.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide(1198785-54-4)
• EPA Substance Registry System: (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide(1198785-54-4)

Safety Data

• Hazardous Substances Data: 1198785-54-4(Hazardous Substances Data)

Usage

Description

(S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide is a complex benzamide derivative featuring a fluorine atom at the 5th position, a methoxyphenyl group at the 1st position, a trifluoromethyl group, and a 2-methyl-4-oxopentan-2-yl group. The (S)-configuration denotes a specific three-dimensional arrangement around its chiral center, which may contribute to its potential pharmaceutical and industrial applications due to its unique chemical structure.

Uses

Used in Pharmaceutical Industry:
(S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide is used as a pharmaceutical compound for its potential therapeutic properties. The unique arrangement of atoms and functional groups in the molecule may allow it to interact with biological targets, such as enzymes or receptors, in ways that could lead to the development of new drugs for various medical conditions.
Used in Chemical Research:
In the field of chemical research, (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide can be used as a starting material or a model compound for studying the effects of different functional groups on the chemical and physical properties of molecules. This knowledge can be applied to the design and synthesis of new compounds with tailored properties for various applications.
Used in Material Science:
The unique structure of (S)-5-fluoro-N-(1-(4-Methoxyphenyl)ethyl)-2-(5,5,5-trifluoro-2-Methyl-4-oxopentan-2-yl)benzaMide may also find applications in material science, where it could be used to develop new materials with specific properties, such as improved stability, reactivity, or selectivity in chemical reactions. These materials could have potential uses in various industries, including electronics, energy, and environmental protection.

Upstream product

• 6298-96-0 (S)-1-(4-methoxyphenyl)ethylamine 
• 1198785-52-2 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one 
• 745783-83-9 1-[(1S)-1-isocyanatoethyl]-4-methoxybenzene 
• 2231-66-5 2,2-dimethyl-5-(propan-2-ylidene)-1,3-dioxane-4,6-dione 
• 1429053-34-8 5-(2-(2-bromo-4-fluorophenyl)propan-2-yl)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 1198785-51-1 3-(2-bromo-4-fluorophenyl)-3-methylbutanoic acid 
• 1198785-53-3 5-fluoro-2-(5,5,5-trifluoro-2-methyl-4-oxopentan-2-yl)benzoic acid 
• 1429053-29-1 2-(2-(2-bromo-4-fluorophenyl)-2-methylpropyl)-2-(trifluoromethyl)-1,3-dioxolane 
• 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 

Downstream Products

• 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 
• 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 
• 1429301-71-2 C₂₈H₃₅F₄NO₃Si 
• 1429302-02-2 C₂₈H₃₅F₄NO₃Si 
• 1257648-83-1 5-fluoro-2-((R)-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 
• 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 

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.