3-Cyano-2,4,5-trifluorobenzoic acid

Base Information

Chemical Name:3-Cyano-2,4,5-trifluorobenzoic acid
CAS No.:195532-64-0
Molecular Formula:C8H2F3NO2
Molecular Weight:201.105
Hs Code.:
European Community (EC) Number:856-627-2
Mol file:195532-64-0.mol

Synonyms:3-Cyano-2,4,5-trifluorobenzoic acid;SCHEMBL3552234;GZUHLIHTFRDVMF-UHFFFAOYSA-N;3-cyano-2,4,5-trifluoro-benzoic acid;EN300-8776715;Z1508932463;195532-64-0

Suppliers and Price of 3-Cyano-2,4,5-trifluorobenzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Cyano-2,4,5-trifluorobenzoic acid

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:201.00376279
Heavy Atom Count:14
Complexity:288

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1F)F)C#N)F)C(=O)O

Technology Process of 3-Cyano-2,4,5-trifluorobenzoic acid

There total 2 articles about 3-Cyano-2,4,5-trifluorobenzoic 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: 97.0%

: 220035-61-0
Ethyl 3-cyano-2,4,5-trifluorobenzoate

: 195532-64-0
3-cyano-2,4,5-trifluoro-benzoic acid

Guidance literature:: With hydrogenchloride; acetic acid; In water; at 100 ℃; for 4h;

Reference yield:

: methyl 3-cyano-2,4,5-trifluoro-benzoate

: 7664-93-9
sulfuric acid

: 195532-64-0
3-cyano-2,4,5-trifluoro-benzoic acid

Guidance literature:: In water; acetic acid;

Reference yield:

: 195532-64-0
3-cyano-2,4,5-trifluoro-benzoic acid

: 195532-12-8
8-Cyano-1-cyclopropyl-7-((1S,6S)-2,8-diazabicyclo[4.3.0]nonan-8-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: thionyl chloride; triethylamine / dichloromethane / 35 - 40 °C

1.2: 12 h / -5 - 20 °C

2.1: acetic acid / 12 h / 10 - 20 °C

3.1: triethylamine / acetonitrile / 75 - 80 °C

4.1: methanesulfonic acid; acetic acid / water / 3 h / Reflux

5.1: dichloromethane / 75 h / 20 °C

With thionyl chloride; methanesulfonic acid; acetic acid; triethylamine; In dichloromethane; water; acetonitrile;