4-Fluoro-2-phenylbenzoic acid

Base Information

• Chemical Name: 4-Fluoro-2-phenylbenzoic acid
• CAS No.: 2714-91-2
• Molecular Formula: C₁₃H₉FO₂
• Molecular Weight: 216.212
• DSSTox Substance ID: DTXSID40588074
• Wikidata: Q82480563
• Mol file: 2714-91-2.mol

Synonyms:4-FLUORO-2-PHENYLBENZOIC ACID;2714-91-2;5-Fluoro-[1,1'-biphenyl]-2-carboxylic acid;4-FLUORO-2-PHENYLBENZOICACID;5-Fluoro-[1,1'-biphenyl]-2-carboxylicacid;SCHEMBL5024503;4-Fluoro-2-phenyl benzoic acid;DTXSID40588074;NZBZMKZPQCAJTK-UHFFFAOYSA-N;CAA71491;MFCD09042336;AKOS000124420;BS-27841;5-Fluoro[1,1'-biphenyl]-2-carboxylic acid;CS-0208800;H11482

Chemical Property of 4-Fluoro-2-phenylbenzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.19090
• 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: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluoro-2-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=C(C=CC(=C2)F)C(=O)O

Technology Process of 4-Fluoro-2-phenylbenzoic acid

There total 9 articles about 4-Fluoro-2-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: 98.0%

4-Fluoro-2-phenyl benzoic acid methyl ester (724-10-7) → 5-fluoro-[1,1'-biphenyl]-2-carboxylic acid (2714-91-2)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 80 ℃;

DOI:10.1021/acs.jafc.9b05751

Reference yield:

4-fluoro-2-phenylbenzonitrile (1841-43-6) → 5-fluoro-[1,1'-biphenyl]-2-carboxylic acid (2714-91-2)

Guidance literature:

With sulfuric acid; In acetic acid;

DOI:10.1021/jm00333a001

Reference yield:

5-amino-[1,1‘-biphenyl]-2-carbonitrile (91822-42-3) → 5-fluoro-[1,1'-biphenyl]-2-carboxylic acid (2714-91-2)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) NaNO₂, aq. HCl, (ii) NaBF₄

2: (heating)

3: aq. H₂SO₄ / acetic acid

With sulfuric acid; In acetic acid;

DOI:10.1021/jm00333a001

upstream raw materials:

4-fluoro-2-phenylbenzonitrile

4-Fluoro-2-phenyl benzoic acid methyl ester

iodobenzene

methyl 2-bromo-4-fluorobenzoate

Downstream raw materials:

3-fluoro-9-fluorenone

Refernces

• 1、 Yang, Dongyan,Zhao, Bin,Fan, Zhijin,Yu, Bin,Zhang, Nailou,Li, Zhengming,Zhu, Yilin,Zhou, Jinghui,Kalinina, Tatiana A.,Glukhareva, Tatiana V.. "Synthesis and Biological Activity of Novel Succinate Dehydrogenase Inhibitor Derivatives as Potent Fungicide Candidates". . p. 13185 - 13194. Retrieved 2019/12/02.