2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid

Base Information

• Chemical Name: 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid
• CAS No.: 5001-96-7
• Molecular Formula: C14H11FO2
• Molecular Weight: 230.239
• Hs Code.: 2916399090
• ChEMBL ID: CHEMBL2152245
• DSSTox Substance ID: DTXSID50474136
• Wikidata: Q27459196
• Mol file: 5001-96-7.mol

Synonyms:5001-96-7;2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid;(2-Fluoro-4-biphenyl)acetic Acid;2-(3-fluoro-4-phenylphenyl)acetic acid;(2-Fluorobiphenyl-4-Yl)acetic Acid;CHEMBL2152245;Desmethylflurbiprofen;2-{2-fluoro-[1,1'-biphenyl]-4-yl}acetic acid;Des-methylflurbiprofen;2-(2-fluorobiphenyl-4-yl)acetic acid;[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-;SCHEMBL538938;DTXSID50474136;ZLLZRKQQNGBXRD-UHFFFAOYSA-N;AMY14455;BDBM50392945;MFCD09840622;AKOS016007533;(2-Fluoro-biphenyl-4-yl)-acetic acid;DS-2586;CS-0164182;FT-0668613;A871684;TITANIUM(III)CHLORIDE-ALUMINUM(III)CHLORIDE;Q27459196;2-(2-Fluoro-[1 pound not1'-biphenyl]-4-yl)acetic acid;2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid? (Flurbiprofen Impurity pound(c);DF0

Chemical Property of 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 140-142°C
• Boiling Point: 375.695oC at 760 mmHg
• Flash Point: 181.014oC
• PSA: 37.30000
• Density: 1.235g/cm3
• LogP: 3.11980
• Storage Temp.: -20°C Freezer
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.07430775
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

97% ^*data from raw suppliers

(2-Fluoro-4-biphenyl)aceticAcid ^*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=C(C=C2)CC(=O)O)F
• Uses: (2-Fluoro-4-biphenyl)acetic Acid is an intermediate in the synthesis of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic.

Technology Process of 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid

There total 14 articles about 2-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic 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: 86.3%

(2-fluoro-1,1′-biphenyl-4-yl)acetonitrile → 2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (5001-96-7)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In dimethyl sulfoxide; at 0 ℃; Inert atmosphere;

DOI:10.1021/jm101450p

Reference yield: 58.0%

2--(2--fluoro--[1,1'--biphenyl]--4--yl)acetaldehyde (1393566-55-6) → 2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (5001-96-7)

Guidance literature:

With sodium chlorite; potassium dihydrogenphosphate; 2,3-Dimethyl-2-butene; In water; tert-butyl alcohol; at 20 ℃; for 0.733333h;

DOI:10.1021/ml3001616

Reference yield:

C20H20BFO2 → 2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (5001-96-7)

Guidance literature:

With oxone||potassium monopersulfate triple salt; water; In acetone; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.202000988

upstream raw materials:

bromobenzene

m-Fluorotoluene

1-bromo-4-(bromomethyl)-2-fluorobenzene

2-( 4-bromo-3-fluorophenyl)acetonitrile

Downstream raw materials:

fluorobiprofen

C₁₈H₁₉FO₂

2-fluoro-2-(2-fluorobiphenyl-4-yl)acetic acid

C₂₆H₃₉FO₂Si₂