2,3,4,6-tetrafluorobenzoic Acid

Base Information

• Chemical Name: 2,3,4,6-tetrafluorobenzoic Acid
• CAS No.: 32890-92-9
• Molecular Formula: C7H2F4O2
• Molecular Weight: 194.085
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50380208
• Wikidata: Q82170331
• Mol file: 32890-92-9.mol

Synonyms:2,3,4,6-tetrafluorobenzoic Acid;32890-92-9;MFCD00039523;2,3,4,6-Tetrafluorobenzoicacid;SCHEMBL364018;DTXSID50380208;JMVKZWLEXQRABZ-UHFFFAOYSA-N;AKOS016010030;PS-10111;CS-0212244;EN300-174718;A856683;Z1255360496

Chemical Property of 2,3,4,6-tetrafluorobenzoic Acid

Chemical Property:

• Melting Point: 98-99.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 223.1±35.0 °C(Predicted)
• PKA: 1.94±0.10(Predicted)
• PSA: 37.30000
• Density: 1.633±0.06 g/cm3(Predicted)
• LogP: 1.94120
• Storage Temp.: Refrigerator
• Solubility.: Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 193.99909195
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

2,?3,?4,?6-?TetrafluorobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)F)C(=O)O)F
• Uses: 2,?3,?4,?6-?Tetrafluorobenzoic Acid is a reagent used in the preparation of nicotinamide derivatives that act as a new class of gastric (H+?/K+)?-?ATPase inhibitors.

Technology Process of 2,3,4,6-tetrafluorobenzoic Acid

There total 5 articles about 2,3,4,6-tetrafluorobenzoic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2,4,5,6-tetrafluorobenzyl alcohol (53001-70-0) → 2,3,4,6-tetrafluorobenzoic acid (32890-92-9)

Guidance literature:

With ruthenium trichloride; sodium periodate; water; In tetrachloromethane; acetonitrile; at 20 ℃; for 6h;

Reference yield: 58.0%

2,4,5,6-tetrafluoroisophthalic acid (1551-39-9) → 2,3,4,6-tetrafluorobenzoic acid (32890-92-9)

Guidance literature:

In 1,4-dioxane; dimethyl sulfoxide; at 135 - 150 ℃; for 4.5h;

Reference yield:

2-bromo-1,3,4,5-tetrafluorobenzene (1559-86-0) + carbon dioxide (124-38-9,18923-20-1) → 2,3,4,6-tetrafluorobenzoic acid (32890-92-9)

Guidance literature:

2-bromo-1,3,4,5-tetrafluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -70 ℃; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at -10 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2021.116498

upstream raw materials:

2,4,5,6-tetrafluoroisophthalic acid

carbon dioxide

1,2,3,5-tetrafluorobenzene

2,4,5,6-tetrafluorobenzyl alcohol

Downstream raw materials:

methyl 2,3,4,6-tetrafluorobenzoate

3,4,6-trifluoro-2-methoxybenzoic acid

2,3,4,6-tetrafluorobenzoyl chloride

2,3,6-trifluorobenzoic acid