2-Fluoro-5-phenylbenzoic acid

Base Information

• Chemical Name: 2-Fluoro-5-phenylbenzoic acid
• CAS No.: 146328-84-9
• Molecular Formula: C13H9FO2
• Molecular Weight: 216.212
• DSSTox Substance ID: DTXSID80471734
• Nikkaji Number: J2.176.055B
• Mol file: 146328-84-9.mol

Synonyms:2-fluoro-5-phenylbenzoic acid;146328-84-9;4-Fluorobiphenyl-3-carboxylic acid;MFCD09042321;4-FLUORO-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID;2-fluoro-5-phenylbenzoicacid;SCHEMBL121427;DTXSID80471734;CBDZTEBMHMCYCY-UHFFFAOYSA-N;WFA32884;4-Fluoro-biphenyl-3-carboxylic acid;AKOS000124462;NS-02496;SY297116;4-fluoro[1,1'-biphenyl]-3-carboxylic acid;E86259

Chemical Property of 2-Fluoro-5-phenylbenzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.19090
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.05865769
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

97-99% ^*data from raw suppliers

2-Fluoro-5-phenylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-5-phenylbenzoic acid

There total 3 articles about 2-Fluoro-5-phenylbenzoic 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: 100.0%

5-bromo-2-fluoro-benzoic acid (146328-85-0) + phenylboronic acid (98-80-6) → 4-fluoro-[1,1'-biphenyl]-3-carboxylic acid (146328-84-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In water; N,N-dimethyl-formamide; at 110 ℃; Inert atmosphere;

Reference yield: 79.0%

carbon dioxide (124-38-9,18923-20-1) + 4-fluoro-biphenyl (324-74-3) → 4-fluoro-[1,1'-biphenyl]-3-carboxylic acid (146328-84-9)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃;

DOI:10.1016/0040-4039(94)02345-C

Reference yield:

sodium tetraphenyl borate (143-66-8) + 5-bromo-2-fluoro-benzoic acid (146328-85-0) → 4-fluoro-[1,1'-biphenyl]-3-carboxylic acid (146328-84-9)

Guidance literature:

With sodium carbonate; palladium on activated charcoal; In water; for 1h; Heating;

DOI:10.1016/j.tetlet.2005.04.022

upstream raw materials:

carbon dioxide

4-fluoro-biphenyl

sodium tetraphenyl borate

5-bromo-2-fluoro-benzoic acid

Downstream raw materials:

C₂₁H₁₇FN₂O₂S