2358-29-4

Basic information

• Product Name: 2,3,6-TRIFLUOROBENZOIC ACID
• Synonyms: RARECHEM AL BO 0267;2,3,6-TRIFLUOROBENZOIC ACID;2,3,6-Trilfuorobenzoic acid;2,3,6-Trifluorobenzoic acid 98%;2,3,6-Trifluorobenzoicacid98%;2,5,6-Trifluorobenzoic acid;2,3,6-Trifluorobenzo
• CAS NO: 2358-29-4
• Molecular Formula: C₇H₃F₃O₂
• Molecular Weight: 176.09
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Miscellaneous;C7;Carbonyl Compounds;Carboxylic Acids;Thiophenes
• Mol File: 2358-29-4.mol
• Article Data: 6

Chemical Properties

• Melting Point: 130-131 °C(lit.)
• Boiling Point: 233.5 °C at 760 mmHg
• Flash Point: 95 °C
• Appearance: white to light yellow crystal powder
• Density: 1.536 g/cm³
• Vapor Pressure: 0.0308mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.00±0.10(Predicted)
• BRN: 2579153
• CAS DataBase Reference: 2,3,6-TRIFLUOROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,6-TRIFLUOROBENZOIC ACID(2358-29-4)
• EPA Substance Registry System: 2,3,6-TRIFLUOROBENZOIC ACID(2358-29-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36
• WGK Germany: 3
• Hazardous Substances Data: 2358-29-4(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

2,3,6-Trifluorobenzoic acid is a trifluorinated analogue of Benzoic acid (B203900). 2,3,6-Trifluorobenzoic acid is a very useful synthetic intermediate that is commonly used to prepare inhibitors of malaria aspartyl proteases Plasmepsin I and II.

General Description

Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid was studied.

InChI:InChI=1/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)/p-1

Upstream product

• 1868-85-5 (2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)hydrazine 
• 136514-17-5 2,3,6-trifluorobenzonitrile 
• 2367-82-0 1,2,3,5-tetrafluorobenzene 
• 124-38-9 carbon dioxide 
• 367-23-7 1,2,4-trifluorobenzene 
• 32890-92-9 2,3,4,6-tetrafluorobenzoic acid 
• 327-52-6 1-bromo-2,4,5-trifluorobenzene 

Downstream Products

• 1188927-60-7 C₁₃H₁₅F₃O₂ 
• 114152-20-4 2,3,6-trifluorobenzyl chloride 
• 114152-23-7 2-(2,3,6-trifluorophenyl)acetic acid 

Relevant articles and documents

CARBOXYLATION CATALYSTS

The use of a complex of the form Z—M—OR in the carboxylation of a substrate is described. The group Z is a two-electron donor ligand, M is a metal and OR is selected from the group consisting of OH, alkoxy and aryloxy. The substrate may be carboxylated at a C—H or N—H bond. The metal M may be copper, silver or gold. The two-electron donor ligand may be a phosphine, a carbene or a phosphite ligand. Also described are methods of manufacture of the complexes and methods for preparing isotopically labelled caboxylic acids and carboxylic acid derivatives.

Carboxylation of N-H/C-H bonds using n-heterocyclic carbene copper(I) complexes

Greenhouse gas makes good: A simple copper-mediated protocol has been developed where N-H or C-H bonds can be directly functionalized using an easily prepared catalyst. The novel [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene] copper(I) hydroxide, [Cu(IPr)(OH)], permits the facile activation and carboxylation of N-H and C-H bonds with pKavalues of less than 27.7 (see scheme).

2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid

The present invention describes the novel intermediates 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile, a process for their preparation and their advantageous use for the preparation of 2,3,6-trifluorobenzoic acid, which in turn is