348-75-4

Basic information

• Product Name: 3-Trifluoromethylbutyric acid
• Synonyms: 3-(TRIFLUOROMETHYL)BUTYRIC ACID;3-(Trifluoromethyl)butyric acid 95%;3-(Trifluoromethyl)butyricacid95%;4,4,4-Trifluoro-3-methylbutanoic acid;3-(Trifluoromethyl)butanoic acid 95%;3-(Trifluoromethyl)butyric acid, 3-Methyl-4,4,4-trifluorobutanoic acid;3-Methyl-4,4,4-trifluorobutyric acid
• CAS NO: 348-75-4
• Molecular Formula: C₅H₇F₃O₂
• Molecular Weight: 156.1
• Mol File: 348-75-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 90 °C
• Flash Point: 90-91°C/25mm
• Appearance: Clear to pale yellow liquid.
• Density: 1.274 g/cm³
• Refractive Index: 1.359
• PKA: 4.08±0.10(Predicted)
• BRN: 1760574
• CAS DataBase Reference: 3-Trifluoromethylbutyric acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Trifluoromethylbutyric acid(348-75-4)
• EPA Substance Registry System: 3-Trifluoromethylbutyric acid(348-75-4)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: 3265
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 348-75-4(Hazardous Substances Data)

Usage

General Description

3-Trifluoromethylbutyric acid is a type of organic chemical compound containing fluorine atoms. Its molecular formula is C5H7F3O2. This acid is generally recognized for its trifluoromethyl, which is a functional group in organic chemistry that comprises of a carbon atom attached to three fluorine atoms and a single hydrogen atom. The presence of this functional group can significantly affect the acid’s chemical properties, often resulting in substantial changes in its reactivity, polarity, and acidity. Despite its potent properties, much information regarding the key uses or applications of 3-Trifluoromethylbutyric acid is not abundantly available, indicating that it might be utilized in more specialized or niche areas of chemicals or pharmaceutical research.

InChI:InChI=1/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)

Upstream product

• 1680206-12-5 Grushin’s reagent 
• 107-92-6 butyric acid 
• 400-28-2 (2E)-4,4,4-Trifluoro-3-methylbut-2-enoic acid 
• 691-77-0 (E)-3-trifluoromethyl-2-butenoic acid ethyl ester 
• 338-03-4 4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic acid 
• 107103-94-6 2,3-bis(trifluoromethyl)butanoic acid 
• 93404-33-2 3-trifluoromethyl-2-butenoic acid 
• 69056-67-3 3-methyl-4,4,4-trifluoro-2-butenoic acid 

Downstream Products

• 339-62-8 (+/-)-4,4,4-Trifluor-3-methyl-1-butanol 
• 1450616-12-2 4,4,4-trifluoro-3-methyl-1-(6-phenethyl-7-(trifluoromethyl)-3,4-dihydro-[1,4]diazepino[6,7,1-hi]indol-2(1H)-yl)butan-1-one 
• 1173178-36-3 (S)-4,4,4-trifluoro-N-((R)-2-hydroxy-1-phenylethyl)-3-methylbutanamide 
• 1189770-31-7 (R)-4,4,4-trifluoro-N-((R)-2-hydroxy-1-phenylethyl)-3-methylbutanamide 
• 1173692-53-9 1-[4-[4-[4,5-dihydro-5-(2-fluorophenyl)-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-4,4,4-trifluoro-3-methyl-1-butanone 
• 16063-79-9 2-amino-4,4,4-trifluoro-3-methylbutanoic acid 
• 1027229-91-9 3-Methoxy-4-[1-methyl-5-(4,4,4-trifluoro-3-methyl-butylcarbamoyl)-1H-indol-3-ylmethyl]-benzoic acid methyl ester 
• 1026485-26-6 3-Methoxy-4-[1-methyl-5-(4,4,4-trifluoro-3-methyl-butylcarbamoyl)-1H-indol-3-ylmethyl]-benzoic acid 
• 952714-68-0 (S)-4-benzyl-3-((S)-4,4,4-trifluoro-3-methylbutanoyl)oxazolidin-2-one 
• 2024-54-6 ethyl 2-bromo-3-methyl-4,4,4-trifluorobutyrate 
• 6975-13-9 (+/-)-ethyl 4,4,4-trifluoro-3-methylbutanoate 

Relevant articles and documents

Csp3-H Trifluoromethylation of Unactivated Aliphatic Systems

A straightforward method for the undirected trifluoromethylation of unactivated methylene units was developed. The reaction proceeds in aqueous acetonitrile with Grushin's reagent, bpyCu(CF3)3, under broad-spectrum white-light irradiation. The trifluoromethylation tolerates a wide range of functional groups including ketones, esters, nitriles, amides, alcohols, and carboxylic acids. The C-H cleavage step is performed via intermolecular H atom abstraction, and the selectivities across a range of methylene units are reported. Mechanistic studies offer a general reaction coordinate for the overall transformation.

Catalytic asymmetric hydrogenation of α-CF3- or β-CF3-Substituted acrylic acids using Rhodium(I) complexes with a combination of chiral and achiral ligands

Only the mixture works! Acrylic acid derivatives with CF3 substituents in α or β position were efficiently hydrogenated in the presence of a RhI complex with a chiral secondary phosphine oxide (SPO; see scheme) and an achiral Ph3P as ligands. The corresponding propanoic acid derivatives were obtained with generally high conversion (>99 %) and high enantioselectivity (92->99 %). Copyright

When is a trifluoromethyl group more lipophilic than a methyl group? Partition coefficients and selected chemical shifts of aliphatic alcohols and trifluoroalcohols

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