2,6-Difluoro-3-methylbenzoic acid

Base Information

• Chemical Name: 2,6-Difluoro-3-methylbenzoic acid
• CAS No.: 32890-88-3
• Molecular Formula: C8H6 F2 O2
• Molecular Weight: 172.131
• Hs Code.: 2916399090
• European Community (EC) Number: 630-024-2
• DSSTox Substance ID: DTXSID90378907
• Wikidata: Q82168498
• Mol file: 32890-88-3.mol

Synonyms:2,6-Difluoro-3-methylbenzoic acid;32890-88-3;2,6-Difluoro-3-methylbenzoicacid;2,6-difluoro-3-methyl-benzoic Acid;SCHEMBL1018937;DTXSID90378907;QZIVNVIPFGKDQE-UHFFFAOYSA-N;MFCD01631332;AKOS005258506;CS-W017621;JS-4165;2,6-Difluoro-3-methylbenzoic acid, 97+%;EN300-115865;F52725;A875498;Z1201621151

Chemical Property of 2,6-Difluoro-3-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.0145mmHg at 25°C
• Melting Point: 138-142°C
• Refractive Index: 1.511
• Boiling Point: 246.4°Cat760mmHg
• Flash Point: 102.8°C
• PSA: 37.30000
• Density: 1.359g/cm³
• LogP: 1.97140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99%, ^*data from raw suppliers

2,6-Difluoro-3-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)F)C(=O)O)F

Technology Process of 2,6-Difluoro-3-methylbenzoic acid

There total 2 articles about 2,6-Difluoro-3-methylbenzoic 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:

2,4-difluorotoluene (452-76-6) → 2,6-difluoro-3-methylbenzoic acid (32890-88-3)

Guidance literature:

With sodium hydroxide; n-butyllithium; carbon dioxide; In tetrahydrofuran; diethyl ether; hexane;

Reference yield:

→ 2,6-difluoro-3-methylbenzoic acid (32890-88-3)

Guidance literature:

2,4-Difluortoluol, BuLi, Trockeneis;

Reference yield: 86.0%

methanol (67-56-1) + 2,6-difluoro-3-methylbenzoic acid (32890-88-3) → methyl 2,6-difluoro-3-methylbenzoate (773873-98-6)

Guidance literature:

With thionyl chloride; at 0 ℃; Heating / reflux;

upstream raw materials:

2,4-difluorotoluene

Downstream raw materials:

methyl 2,6-difluoro-3-methylbenzoate

N-tert-butyl-2,6-difluoro-3-methylbenzamide

3-(bromomethyl)-N-tert-butyl-2,6-difluorobenzamide

N-tert-butyl-3-((4-(4-(3-cyclobutylureido)benzoyl)piperazin-1-yl)methyl)-2,6-difluorobenzamide

Refernces