2-(4-Fluorophenyl)benzoic acid

Base Information

• Chemical Name: 2-(4-Fluorophenyl)benzoic acid
• CAS No.: 1841-57-2
• Molecular Formula: C13H9FO2
• Molecular Weight: 216.212
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00382217
• Nikkaji Number: J2.321.173D
• Wikidata: Q82173531
• Mol file: 1841-57-2.mol

Synonyms:2-(4-Fluorophenyl)benzoic acid;1841-57-2;4'-fluoro-[1,1'-biphenyl]-2-carboxylic acid;4'-fluorobiphenyl-2-carboxylic acid;4'-Fluoro-Biphenyl-2-Carboxylic Acid;4'-fluoro-2-biphenylcarboxylic acid;2-Biphenyl-4'-fluoro-carboxylic acid;4'-Fluoro-[1,1'-biphenyl]-2-carboxylicacid;4'-fluoro[1,1'-biphenyl]-2-carboxylic acid;(p-fluorophenyl)benzoic acid;SCHEMBL497304;DTXSID00382217;4'-Fluoro-biphenylcarboxylic acid;LGVNEKHPDXUTKA-UHFFFAOYSA-N;MFCD03002065;AKOS002683421;AC-6458;PS-11164;BB 0222504;CS-0171211;FT-0748601;[1,1'-Biphenyl]-2-carboxylicacid,4'-fluoro-;4/'-FLUORO-BIPHENYL-2-CARBOXYLIC ACID

Chemical Property of 2-(4-Fluorophenyl)benzoic acid

Chemical Property:

• Melting Point: >225 °C
• Boiling Point: 340.9 °C at 760 mmHg
• PKA: 3.83±0.36(Predicted)
• Flash Point: 160 °C
• PSA: 37.30000
• Density: 1.261 g/cm³
• 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: 246

Purity/Quality:

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

2-Biphenyl-4’-fluorocarbozylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

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-(4-Fluorophenyl)benzoic acid

There total 17 articles about 2-(4-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: 100.0%

methyl 4'-fluoro-[1,1'-biphenyl]-2-carboxylate (80254-82-6) → 4’-fluoro-[1,1’-biphenyl]-2-carboxylic acid (1841-57-2)

Guidance literature:

With water; sodium hydroxide; In methanol; at 50 ℃; for 14h;

DOI:10.1021/acs.orglett.8b00052

Reference yield: 95.0%

C16H15FO2 → 4’-fluoro-[1,1’-biphenyl]-2-carboxylic acid (1841-57-2)

Guidance literature:

With potassium hydroxide; lithium hydroxide;

DOI:10.1134/S0012500816060069

Reference yield: 89.0%

4'-fluoro-[1,1'-biphenyl]-2-carboxylic acid ethyl ester (773138-83-3) → 4’-fluoro-[1,1’-biphenyl]-2-carboxylic acid (1841-57-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 12h; Reflux;

upstream raw materials:

2-fluoro-9H-fluoren-9-one

methyl 4'-fluoro-[1,1'-biphenyl]-2-carboxylate

2-bromobenzoic acid methyl ester

4-fluoroboronic acid

Downstream raw materials:

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

2-fluoro-9H-fluoren-9-one

2-fluoro-9H-fluorene

2-[(4-{(tert-Butoxycarbonyl)[2-(2-pyridinyl)ethyl]amino}anilino)carbonyl]-4'-fluoro-1,1'-biphenyl

Refernces

• 1、 -. "SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS". Page/Page column 238-239. . Retrieved 2021/05/21.
• 2、 Bera, Shyamal Kanti,Mal, Prasenjit. "Mechanochemical-Cascaded C-N Cross-Coupling and Halogenation Using N-Bromo- And N-Chlorosuccinimide as Bifunctional Reagents". . p. 14144 - 14159. Retrieved 2021/09/13.