71027-02-6

Basic information

• Product Name: 4,4,4-TRIFLUOROCROTONIC ACID
• Synonyms: 4,4,4-TRIFLUOROCROTONIC ACID;4,4,4-TRIFLUORO-2-BUTENOIC ACID;RARECHEM AL BO 0835;4,4,4-TrifluoroBut-2-enoicacid;4,4,4-Trifluorocrotonic acid 97%;4,4,4-Trifluorocrotonicacid97%;4,4,4-Trifluoro butynoic acid;(E)-4,4,4-trifluorobut-2-enoic acid
• CAS NO: 71027-02-6
• Molecular Formula: C₄H₃F₃O₂
• Molecular Weight: 140.06
• Product Categories: Fluorochemicals
• Mol File: 71027-02-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 55-56°C
• Boiling Point: 68-69°C 20mm
• Flash Point: >110°C
• Appearance: /
• Density: 1.411g/cm3
• Vapor Pressure: 0.0959mmHg at 25°C
• Refractive Index: 1.374
• PKA: pK1:3.15 (25°C)
• CAS DataBase Reference: 4,4,4-TRIFLUOROCROTONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4,4-TRIFLUOROCROTONIC ACID(71027-02-6)
• EPA Substance Registry System: 4,4,4-TRIFLUOROCROTONIC ACID(71027-02-6)

Safety Data

• Hazard Codes: C,Xi
• Statements: 34-36/37-10-33/34
• Safety Statements: 26-36/37/39-22/23
• RIDADR: 3261
• WGK Germany: 3
• HazardClass: IRRITANT, CORROSIVE
• Hazardous Substances Data: 71027-02-6(Hazardous Substances Data)

Usage

General Description

4,4,4-Trifluorocrotonic acid, also known as 2-Butenoic acid, 4,4,4-trifluoro, is an organic compound with a molecular formula of C4H3F3O2. This chemical, mainly used in research and the development of medicinal chemistry, belongs to the class of organic compounds known as acrylic acid and its derivatives. It's often in the form of a colorless liquid with chemical properties such as a molar mass of about 132.06 g/mol and a boiling point of approximately 70-71°C. These acids are characterized by a carboxylic acid attached to a vinyl group. In addition, it's essential to handle this chemical with care, as it may cause severe burns and eye damage.

InChI:InChI=1/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+

Upstream product

• 86884-21-1 rac-4,4,4-trifluoro-3-hydroxybutanoic acid 
• 407-58-9 1,1,1-trichloro-4,4,4-trifluoro-but-2t-ene 
• 7664-93-9 sulfuric acid 
• 400-40-8 2-bromo-4,4,4-trichloro-1,1,1-trifluoro-butane 
• 25597-16-4 ethyl 4,4,4-trifluorobut-2-enoate 
• 6737-19-5 β-trifluoromethyl-β-propiolactone 

Downstream Products

• 25597-16-4 ethyl 4,4,4-trifluorocrotonate 
• 453-32-7 3-Amino-4,4,4-trifluorbutyramid 
• 1172603-97-2 4,4,4-trifluoro-N-methoxy-N-methylbut-2-enamide 
• 1408236-63-4 4,4,4-trifluoro-1,3-bis(4-trifluoromethoxyphenyl)butan-1-one 
• 1408236-64-5 4,4,4-trifluoro-1,3-bis(4-fluorophenyl)butan-1-one 
• 1408236-65-6 4,4,4-trifluoro-1,3-bis(4-chlorophenyl)butan-1-one 
• 1408236-66-7 4,4,4-trifluoro-1,3-bis(4-bromophenyl)butan-1-one 
• 1408236-67-8 4,4,4-trifluoro-1,3-bis(3-hydroxy-4-methylphenyl)butan-1-one 
• 1408236-68-9 4,4,4-trifluoro-1,3-bis(2-hydroxy-5-methylphenyl)butan-1-one 
• 78622-55-6 (E)-1-(3,3,3-trifluoroprop-1-enyl)-4-methoxybenzene 
• 851371-02-3 4,4,4-trifluoro-3-(4-methoxy-phenylsulfanyl)-butyric acid 

Relevant articles and documents

PRODUCTION METHOD OF FLUORINE-CONTAINING UNSATURATED CARBOXYLIC ACID

PROBLEM TO BE SOLVED: To provide a production method of a compound of formula (4), that is, a fluorine-containing unsaturated carboxylic acid, which is industrially preferable, economical, and environmentally friendly. SOLUTION: A production method of a compound of formula (4) includes subjecting a compound of formula (3) to a reaction in the presence of a base (here Rf is a 1-4C perfluoroalkyl). SELECTED DRAWING: None COPYRIGHT: (C)2021,JPO&INPIT

The effect of fluoromethyl groups on the diastereoselectivity in the electrophilic alkylation

The effect of fluoromethyl groups on the diastereoselectivity in the electrophilic alkylation is described. In particular, the electrophilic alkylation of enolates with a trifluoromethyl group was proceeded with highly diastereofacial selectivity based on the steric and/or electrostatic effect of substituent with strong electron withdrawing.