2-Methoxy-6-(trifluoromethyl)benzoic acid

Base Information

• Chemical Name: 2-Methoxy-6-(trifluoromethyl)benzoic acid
• CAS No.: 119692-41-0
• Molecular Formula: C9H7 F3 O3
• Molecular Weight: 220.148
• Hs Code.: 2918999090
• European Community (EC) Number: 630-204-0
• DSSTox Substance ID: DTXSID80566997
• Wikidata: Q82452775
• Mol file: 119692-41-0.mol

Synonyms:2-Methoxy-6-(trifluoromethyl)benzoic acid;119692-41-0;Benzoic acid, 2-methoxy-6-(trifluoromethyl)-;2-Methoxy-6-(trifluoromethyl)benzoicacid;SCHEMBL425534;DTXSID80566997;MFCD09832319;AKOS015956452;CS-W013148;JS-4671;2-methoxy-6-trifluoromethylbenzoic acid;6-methoxy-2 trifluoromethylbenzoic acid;6-methoxy-2-trifluoromethylbenzoic acid;2-Methoxy-6-trifluoromethyl-benzoic acid;D94460;A892482

Chemical Property of 2-Methoxy-6-(trifluoromethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 131-134℃
• Refractive Index: 1.474
• Boiling Point: 276.2°Cat760mmHg
• Flash Point: 120.8°C
• PSA: 46.53000
• Density: 1.38g/cm³
• LogP: 2.41220
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.03472857
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

2-Methoxy-6-(trifluoromethyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1C(=O)O)C(F)(F)F

Technology Process of 2-Methoxy-6-(trifluoromethyl)benzoic acid

There total 2 articles about 2-Methoxy-6-(trifluoromethyl)benzoic 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:

3-(trifluoromethyl)anisole (454-90-0) → 2-methoxy-6-(trifluoromethyl)benzoic acid (119692-41-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; water;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 3-(trifluoromethyl)anisole (454-90-0) → 2-methoxy-6-(trifluoromethyl)benzoic acid (119692-41-0)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; Yield given. Multistep reaction; 1.) n-hexan, 0 deg C, 1.5 h; 2.) H₂O;

DOI:10.1016/0022-328X(88)80251-1

Reference yield: 92.0%

2-methoxy-6-(trifluoromethyl)benzoic acid (119692-41-0) → [2-methoxy-6-(trifluoromethyl)phenyl]methanol (1017779-01-9)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; chlorobenzene; at 0 - 130 ℃; for 20.25h; Inert atmosphere;

upstream raw materials:

carbon dioxide

3-(trifluoromethyl)anisole

Downstream raw materials:

2-Methoxy-6-trifluoromethyl-benzoesauremethylester

2-methoxy-6-(trifluoromethyl)benzoyl chloride

[2-methoxy-6-(trifluoromethyl)phenyl]methanol

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