4-(3-Fluorophenyl)phenylacetic acid

Base Information

• Chemical Name: 4-(3-Fluorophenyl)phenylacetic acid
• CAS No.: 5002-38-0
• Molecular Formula: C14H11FO2
• Molecular Weight: 230.239
• Hs Code.: 2916399090
• European Community (EC) Number: 672-466-9
• DSSTox Substance ID: DTXSID80362698
• Wikidata: Q82146018
• Mol file: 5002-38-0.mol

Synonyms:5002-38-0;4-(3-Fluorophenyl)phenylacetic acid;4-Biphenyl-3'-fluoro-acetic acid;2-[4-(3-fluorophenyl)phenyl]acetic Acid;2-(3'-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid;(3'-fluoro-biphenyl-4-yl)acetic acid;(3'-Fluoro-biphenyl-4-yl)-acetic acid;3'-fluoro-biphenyl-4-acetic acid;4-Biphenyl-3'-fluoro-aceticacid;2-(3'-Fluoro-[1,1'-biphenyl]-4-yl)aceticacid;SCHEMBL539023;4-biphenyl-3'-fluoroacetic acid;4-Biphenyl-3-fluoro-acetic acid;DTXSID80362698;MFCD03426491;(3'-fluorobiphenyl-4-yl)acetic acid;AKOS004117067;AC-6460;2-(3'-fluorobiphenyl-4-yl)acetic acid;BS-28525;2-(3'-fluoro-biphenyl-4-yl)-acetic acid;A7438;CS-0171124;FT-0635507;(3'-Fluoro[1,1'-biphenyl]-4-yl)acetic acid

Chemical Property of 4-(3-Fluorophenyl)phenylacetic acid

Chemical Property:

• Refractive Index: 1.579
• Boiling Point: 390.7 °C at 760 mmHg
• Flash Point: 190.1 °C
• PSA: 37.30000
• Density: 1.235 g/cm³
• LogP: 3.11980
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.07430775
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Fluorophenyl)phenylaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(3-Fluorophenyl)phenylacetic acid

There total 3 articles about 4-(3-Fluorophenyl)phenylacetic 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: 75.0%

3-fluorophenylboronic acid (768-35-4) + 2-(4-bromophenyl)-acetic acid (1878-68-8) → 2-(3'-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (5002-38-0)

Guidance literature:

3-fluorophenylboronic acid; 2-(4-bromophenyl)-acetic acid; With sodium carbonate; palladium 10% on activated carbon; In water; isopropyl alcohol; at 65 - 70 ℃;

With sulfuric acid; water; In isopropyl alcohol;

Reference yield:

methanol (67-56-1) + (3-fluorophenyl)zinc bromide + 2-(4-bromophenyl)-acetic acid (1878-68-8) → 2-(3'-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (5002-38-0) + methyl 2-(3'-fluoro-[1,1'-biphenyl]-4-yl)acetate

Guidance literature:

With sodium methylate; caesium carbonate; potassium iodide; Merrifield resin; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; Yield given. Multistep reaction. Yields of byproduct given; 1.) DMF, 80 deg C, 18 h; 2.) THF, r.t., 18 h; 3.) THF, 70 deg C, 18 h;

DOI:10.1016/0040-4039(96)01162-8

Reference yield:

→ 2-(3'-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (5002-38-0)

Guidance literature:

1)Ar-COCH3, Morpholin, Schwefel, 2) NaOH;

upstream raw materials:

methanol

2-(4-bromophenyl)-acetic acid

3-fluorophenylboronic acid

Downstream raw materials:

2-(3′-fluoro-[1,1′-biphenyl]-4-yl)-N-methyl-N-(4-methyl-5-sulfamoylthiazol-2-yl)acetamide

2-(3'-Fluoro-biphenyl-4-yl)-N-(1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl)-acetamide

Refernces

• 1、 -. "Compositions and methods of treating cell proliferation disorders". Page/Page column 75. . Retrieved 2008/06/13.