56539-85-6

Basic information

• Product Name: 3,3,3-trifluoro-2-phenylpropanoic acid
• CAS NO: 56539-85-6
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.1459
• Mol File: 56539-85-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 239.1°C at 760 mmHg
• Flash Point: 98.4°C
• Density: 1.356g/cm³
• Vapor Pressure: 0.0223mmHg at 25°C
• Refractive Index: 1.476
• CAS DataBase Reference: 3,3,3-trifluoro-2-phenylpropanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,3-trifluoro-2-phenylpropanoic acid(56539-85-6)
• EPA Substance Registry System: 3,3,3-trifluoro-2-phenylpropanoic acid(56539-85-6)

Safety Data

• Hazardous Substances Data: 56539-85-6(Hazardous Substances Data)

Usage

General Description

3,3,3-trifluoro-2-phenylpropanoic acid is a synthetic organic compound with the chemical formula C9H7F3O2. It is a derivative of propionic acid and contains a trifluoromethyl group and a phenyl group on the central carbon atom. 3,3,3-trifluoro-2-phenylpropanoic acid is used as a building block in organic synthesis and pharmaceutical research. It has potential applications in the development of new drugs and agrochemicals due to its unique chemical structure and properties. 3,3,3-trifluoro-2-phenylpropanoic acid is also used as a reagent in various laboratory reactions and can be found in the catalogs of chemical suppliers.

Upstream product

• 124-38-9 carbon dioxide 
• 434-42-4 1,1,1-trifluoro-2-bromo-2-phenylethane 
• 405-42-5 2',2'-difluorostyrene 
• 108-86-1 bromobenzene 
• 87405-86-5 1-chloro-1,1,3,3,3-pentafluoro-2-<4-(2-methylpropyl)-phenyl>-2-propanol 
• 87405-93-4 1-<1,2-dichloro-2,2-difluoro-1-(trifluoromethyl)-ethyl>-4-(2-methylpropyl)benzene 
• 538-93-2 1-phenyl-2-methylpropane 
• 175401-23-7 Ethyl α-mesyloxy-α-(trifluoromethyl)phenylacetate 
• 175401-22-6 α-Mesyloxy-α-(trifluoromethyl)phenylacetamide 
• 20445-34-5 ICM-I 40N 
• 130865-83-7 Ethyl α-hydroxy-α-(trifluoromethyl)phenylacetate 
• 93923-55-8 3,3,3-trifluoro-2-hydroxy-2-phenyl-propionitrile 
• 180068-30-8 α-(Trifluoromethyl)phenylacetonitrile 
• 837429-67-1 α-(trifluoromethyl)-β-methoxystyrene 

Downstream Products

• 51760-82-8 CF₃(Ph)CHC(O)Cl 
• 184414-29-7 methyl 3,3,3-trifluoro-2-phenylpropanoate 
• 90784-42-2 ethyl 3,3,3-trifluoro-2-phenylpropionate 
• 134704-22-6 4-Ethoxy-5-phenyl-6-chloromethylpyrimidine 
• 134704-08-8 4-Chloromethyl-6-fluoro-5-phenyl-pyrimidine 
• 134704-07-7 1-Chloro-4,4,4-trifluoro-3-phenyl-butan-2-one 
• 179031-82-4 1-methoxy-4-(3,3,3-trifluoro-2-phenylpropionyl)-benzene 
• 36029-60-4 (E)-3,3,3-trifluoro-1-(4-methoxyphenyl)-1,2-diphenylpropene 
• 34288-92-1 (Z)-1-(4-methoxyphenyl)-1,2-diphenyl-3,3,3-trifluoropropene 
• 13490-97-6 (+/-)-N-Methyl-α-trifluormethyl-phenylacetamid 

Relevant articles and documents

Efficient Synthesis of α-Trifluoromethyl Carboxylic Acids and Esters through Fluorocarboxylation of gem-Difluoroalkenes

A facile synthetic procedure for the preparation of α-trifluoromethyl carboxylic acids and esters was achieved through multicomponent coupling reactions between gem-difluoroalkenes, cesium fluoride, and carbon dioxide. The products were generated in moderate to excellent yields, and the synthetic utility of this method was demonstrated through the preparation of trifluoromethylated versions of popular nonsteroidal anti-inflammatory drugs (NSAIDs).

Process for producing α-(trifluoromethyl)arylacetic acid

α-(trifluoromethyl)arylacetic acid for use as raw materials for medicines, agricultural chemicals, liquid crystals etc. or reagents for determining an optical purity is readily obtained through very simple reaction steps, i.e. by reacting a perfluoro(2-methyl-1,2-epoxypropyl)ether compound obtainable by ozone, oxidation of a heptafluoroisobutenyl ether compound with an aromatic compound ArH to afford an α,α-bis(trifluoromethyl)arylacetic acid ester, followed by decarboxylation and hydrolysis of the resulting ester compound.

Synthesis of α-(trifluoromethyl)phenylacetonitrile. Anomalous reactions of α-tosyloxy-α-(trifluoromethyl)phenylacetonitrile with sodium borohydride

The hitherto unknown α-(trifluoromethyl)phenylacetonitrile has been synthesized by reduction of the cyanohydrin of α,α,α-trifluoroacetophenone.Sodium borohydride reduction of the corresponding cyanohydrin tosylate resulted in reductive decyanation in dimethyl sulphoxide and in reduction of the nitrile group in t-butanol. - Keywords: Synthesis; α-(Trifluoromethyl)phenylacetonitrile; Anomalous reactions; Sodium borohydride; NMR spectroscopy; IR spectroscopy, Mass spectrometry