400-31-7

Usage

Uses

Used in Industrial Applications:
3-Penten-2-one, 1,1,1-trifluoro-4-methylis used as an intermediate in the synthesis of various industrial chemicals. Its unique structure allows it to be a valuable building block in the production of complex molecules, contributing to the development of new materials and compounds.
Used in Chemical Synthesis:
In the field of chemical synthesis, 3-Penten-2-one, 1,1,1-trifluoro-4-methylserves as a key component in the creation of a wide range of chemical products. Its reactivity and the presence of trifluoro and methyl groups make it a versatile starting material for the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Research and Development:
3-Penten-2-one, 1,1,1-trifluoro-4-methylis utilized in research and development settings to explore its potential applications and properties. Scientists and researchers use 3-Penten-2-one, 1,1,1-trifluoro-4-methyl- to investigate its reactivity, stability, and interactions with other molecules, which can lead to the discovery of new chemical reactions and processes.

InChI:InChI=1/C6H7F3O/c1-4(2)3-5(10)6(7,8)9/h3H,1-2H3

Upstream product

• 367-57-7 1,1,1-Trifluoro-2,4-pentanedione 
• 75-16-1 methylmagnesium bromide 
• 38614-36-7 2-methylpropen-1-ylmagnesium bromide 
• 104863-67-4 N-methoxy-N-methyltrifluoroacetamide 
• 360-95-2 2,2,2-Trifluoro-1-morpholin-4-yl-ethanone 
• 33324-92-4 (2-methylallyl)magnesium bromide 
• 4068-48-8 1,1-difluoro-4-methyl-1-nitro-2-trifluoromethyl-pent-4-en-2-ol 

Downstream Products

• 609806-82-8 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-one 
• 1245526-85-5 1,1,1-trifluoro-4-methyl-4-phenylpentan-2-one 
• 1245526-86-6 1,1,1-trifluoro-4-methyl-4-(3-fluorophenyl)pentan-2-one 
• 727375-64-6 1,1,1-trifluoro-4-(2-methoxyphenyl)-4-methylpentan-2-one 
• 1198785-52-2 4-(2-bromo-4-fluorophenyl)-1,1,1-trifluoro-4-methylpentan-2-one 
• 1257314-43-4 1,1,1-trifluoro-4-methyl-4-(2-vinylphenyl)pentan-2-one 
• 1198785-20-4 (S)-6-(5-fluoro-2-methylphenyl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol 
• 866943-85-3 (S)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-((R)-toluene-4-sulfinylmethyl)pentan-2-ol 
• 866943-87-5 (S)-1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-p-tolylsulfanylmethylpentan-2-ol 

Relevant academic research and scientific papers

Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects

Synthesis and structure-activity relationship (SAR) of a series of nonsteroidal glucocorticoid receptor (GR) agonists are described. These compounds contain "diazaindole" moieties and display different transcriptional regulatory profiles in vitro and are

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.

STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS

A process for stereoselective synthesis of a compound of Formula (X): wherein: 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; R2 and R3 are each independently C1-C5 alkyl; R4 is C1-C5 alkyl optionally independently substituted with one to three substituent groups, wherein each substituent group of R4 is independently C1-C3 alkyl, hydroxy, halogen, amino, or oxo; and R5 is a heteroaryl group substituted with one to three substituent groups, wherein each substituent group of R5 is independently C1-C5 alkyl, aminocarbonyl, alkylaminocarbonyl, dialkylaminocarbonyl, alkylsulfonylamino, aminosulfonyl, C1- C5 alkylaminosulfonyl, C1-C5 dialkylaminosulfonyl, halogen, hydroxy, carboxy, cyano, trifluoromethyl, trifluoromethoxy, trifluoromethylthio, or C1-C5 alkylthio wherein the sulfur atom is optionally oxidized to a sulfoxide or sulfone.

Nonsteroidal dissociated glucocorticoid agonists containing azaindoles as steroid A-ring mimetics

Syntheses and structure-activity relationships (SAR) of nonsteroidal glucocorticoid receptor (GR) agonists are described. These compounds contain azaindole moieties as A-ring mimetics and display various degrees of in vitro dissociation between gene trans

STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS

A process for stereoselective synthesis of a compound of Formula (X) or Formula (X') : wherein: R1 is an aryl group substituted with one to three substituent groups, wherein each substituent group of R1 is independently C1

GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

Compounds of Formula I wherein R1, R2, X, and Y are as defined herein, or a tautomer, optical isomer, prodrug, co-crystal, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.

Quinol-4-ones as steroid A-ring mimetics in nonsteroidal dissociated glucocorticoid agonists

We report on the nuclear receptor binding affinities, cellular activities of transrepression and transactivation, and anti-inflammatory properties of a quinol-4-one and other A-ring mimetic containing nonsteroidal class of glucocorticoid agonists.

GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

A compound of Formula (IA) or Formula (IB) wherein R1, R2, R3, R4, R5, R6, R7, and R8 are as defined herein, or a tautomer, prodrug, solvate, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocortic

GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

Compounds of Formula (IA) and Formula (IB) wherein R1, R2, R3, R4, R5, and R6 are as defined herein for Formula (IA) or Formula (IB), or a tautomer, prodrug, solvate,or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.

4-(ARYL OR HETEROARYL) -2-BUTYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANS

A compound of Formula (IA) or Formula (IB) wherein R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein, or a tautomer, prodrug, solvate, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.