2-(3-fluorophenyl)benzoic Acid

Base Information

• Chemical Name: 2-(3-fluorophenyl)benzoic Acid
• CAS No.: 2094-03-3
• Molecular Formula: C₁₃H₉FO₂
• Molecular Weight: 216.212
• Hs Code.: 2916399090
• European Community (EC) Number: 672-467-4
• DSSTox Substance ID: DTXSID20382214
• Wikidata: Q82173528
• ChEMBL ID: CHEMBL4088163
• Mol file: 2094-03-3.mol

Synonyms:2-(3-fluorophenyl)benzoic Acid;2094-03-3;3'-Fluoro-[1,1'-biphenyl]-2-carboxylic acid;3'-Fluoro-biphenyl-2-carboxylic acid;3'-fluorobiphenyl-2-carboxylic acid;2-biphenyl-3'-fluoro-carboxylic acid;2-Biphenyl-3'-fluoro-carboxylicacid;3'-Fluoro-[1,1'-biphenyl]-2-carboxylicacid;SCHEMBL269851;CHEMBL4088163;DTXSID20382214;GEZNPQHOTCPFEL-UHFFFAOYSA-N;MFCD03426488;AKOS004117465;PS-7932;3-FLUORO-BIPHENYL-2-CARBOXYLICACID;BB 0222503;CS-0172967;3'-fluoro[1,1'-biphenyl]-2-carboxylic acid;3'-fluoro-biphenyl-2-carboxylic acid, AldrichCPR

Chemical Property of 2-(3-fluorophenyl)benzoic Acid

Chemical Property:

• Boiling Point: 344.7°Cat760mmHg
• Flash Point: 162.3°C
• PSA: 37.30000
• Density: 1.261g/cm³
• LogP: 3.19090
• Storage Temp.: 2-8°C
• XLogP3: 3
• 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:

97% ^*data from raw suppliers

3'-Fluoro-[1,1'-biphenyl]-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-fluorophenyl)benzoic Acid

There total 4 articles about 2-(3-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:

3'-fluorobiphenyl-2-carboxylic acid, methyl ester (80254-81-5) → 3'-fluoro-[1,1'-biphenyl]-2-carboxylic acid (2094-03-3)

Guidance literature:

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

DOI:10.1021/ol400877q

Reference yield:

o-iodo-methyl-benzoic acid (610-97-9) → 3'-fluoro-[1,1'-biphenyl]-2-carboxylic acid (2094-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate; trans-bis(triphenylphosphine)palladium dichloride / tetrahydrofuran; water / 60 °C / Inert atmosphere

2: sodium hydroxide / water; methanol / 6 h / 50 °C

With trans-bis(triphenylphosphine)palladium dichloride; sodium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1021/ol400877q

Reference yield:

3-fluorophenylboronic acid (768-35-4) → 3'-fluoro-[1,1'-biphenyl]-2-carboxylic acid (2094-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate; trans-bis(triphenylphosphine)palladium dichloride / tetrahydrofuran; water / 60 °C / Inert atmosphere

2: sodium hydroxide / water; methanol / 6 h / 50 °C

With trans-bis(triphenylphosphine)palladium dichloride; sodium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1021/ol400877q

upstream raw materials:

1-fluoro-9H-fluoren-9-one

o-iodo-methyl-benzoic acid

3-fluorophenylboronic acid

3'-fluorobiphenyl-2-carboxylic acid, methyl ester

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