2-(2-fluorophenyl)benzoic Acid

Base Information

• Chemical Name: 2-(2-fluorophenyl)benzoic Acid
• CAS No.: 361-92-2
• Molecular Formula: C₁₃H₉FO₂
• Molecular Weight: 216.212
• European Community (EC) Number: 869-878-8
• DSSTox Substance ID: DTXSID90408435
• Nikkaji Number: J2.207.312E
• Wikidata: Q82213915
• Mol file: 361-92-2.mol

Synonyms:2-(2-fluorophenyl)benzoic Acid;361-92-2;2'-fluorobiphenyl-2-carboxylic acid;2'-Fluoro-biphenyl-2-carboxylic acid;2'-Fluoro-[1,1'-biphenyl]-2-carboxylic acid;2'-fluoro[1,1'-biphenyl]-2-carboxylic acid;2-fluorophenylbenzoic acid;SCHEMBL269331;DTXSID90408435;DGATZLSIKFSWDE-UHFFFAOYSA-N;AMY33221;MFCD05022492;AKOS002683337;AB92573;FS-6010;BB 0223706;CS-0206046;FT-0718381;2'-Fluoro-[1,1'-biphenyl]-2-carboxylicacid;EN300-633979;F79730;2'-fluoro-biphenyl-2-carboxylic acid, AldrichCPR

Chemical Property of 2-(2-fluorophenyl)benzoic Acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.05865769
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Fluorophenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2F)C(=O)O

Technology Process of 2-(2-fluorophenyl)benzoic Acid

There total 7 articles about 2-(2-fluorophenyl)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: 71.0%

2-Iodobenzoic acid (88-67-5) + o-fluorophenylboronic acid (1993-03-9) → 2-(2-fluoro)phenylbenzoic acid (361-92-2)

Guidance literature:

With ethylenediaminetetraacetic acid; potassium carbonate; palladium dichloride; at 100 ℃; for 2h;

DOI:10.1016/j.tetlet.2005.06.085

Reference yield:

methyl 2′-fluoro-[1,1′-biphenyl]-2-carboxylate (80254-80-4) → 2-(2-fluoro)phenylbenzoic acid (361-92-2)

Guidance literature:

With sodium hydroxide; In methanol; water; at 50 ℃; for 6h;

DOI:10.1021/ol400877q

Reference yield:

4-n-pentylphenol (14938-35-3) + S-3'-fluoro-4'-(6-methyl-octyloxy)-4-biphenylcarboxylic acid → 2-(2-fluoro)phenylbenzoic acid (361-92-2)

Guidance literature:

In pyridine;

upstream raw materials:

o-fluorobromobenzene

carbon dioxide

2-Iodobenzoic acid

o-fluorophenylboronic acid

Downstream raw materials:

6H-benzo[c]chromen-6-one