3-(p-Fluorophenyl)-3-(p-tolyl)propionic acid

Base Information

• Chemical Name: 3-(p-Fluorophenyl)-3-(p-tolyl)propionic acid
• CAS No.: 390-43-2
• Molecular Formula: C16H15 F O2
• Molecular Weight: 258.292
• Hs Code.: 2916399090
• European Community (EC) Number: 206-868-9
• DSSTox Substance ID: DTXSID10959838
• Nikkaji Number: J213.617A
• Mol file: 390-43-2.mol

Synonyms:390-43-2;3-(p-Fluorophenyl)-3-(p-tolyl)propionic acid;EINECS 206-868-9;3-(4-fluorophenyl)-3-(4-methylphenyl)propanoic acid;3-(p-fluorophenyl)-3-(p-tolyl)propanoic acid;SCHEMBL10974823;C16H15FO2;DTXSID10959838;4-Fluoro-beta-(4-methylphenyl)benzenepropanoic acid

Chemical Property of 3-(p-Fluorophenyl)-3-(p-tolyl)propionic acid

Chemical Property:

• Vapor Pressure: 2.37E-06mmHg at 25°C
• Boiling Point: 376.9°Cat760mmHg
• Flash Point: 181.8°C
• PSA: 37.30000
• Density: 1.186g/cm³
• LogP: 3.74070
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.10560788
• Heavy Atom Count: 19
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(CC(=O)O)C2=CC=C(C=C2)F

Technology Process of 3-(p-Fluorophenyl)-3-(p-tolyl)propionic acid

There total 4 articles about 3-(p-Fluorophenyl)-3-(p-tolyl)propionic 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:

3-(4-fluoro-phenyl)-3-p-tolyl-acrylic acid (390-44-3) → 3-(4-fluoro-phenyl)-3-p-tolyl-propionic acid (390-43-2)

Guidance literature:

With Pd-BaSO₄; ethanol; Hydrogenation;

DOI:10.1021/ja01184a091

Reference yield:

2-Cyano-3-(4-fluoro-phenyl)-3-p-tolyl-propionic acid ethyl ester (80271-85-8) → 3-(4-fluoro-phenyl)-3-p-tolyl-propionic acid (390-43-2)

Guidance literature:

With sulfuric acid; acetic acid; for 24h; Yield given; Heating;

DOI:10.1021/jm00361a002

Reference yield:

ethyl 2-cyano-3-p-tolylacrylate (18300-87-3) → 3-(4-fluoro-phenyl)-3-p-tolyl-propionic acid (390-43-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Mg / 1.) ether, 2.) ether, toluene, reflux, 30 min

2: aq. H₂SO₄, CH₃COOH / 24 h / Heating

With sulfuric acid; magnesium; acetic acid;

DOI:10.1021/jm00361a002

upstream raw materials:

3-(4-fluoro-phenyl)-3-p-tolyl-acrylic acid

2-Cyano-3-(4-fluoro-phenyl)-3-p-tolyl-propionic acid ethyl ester

ethyl 2-cyano-3-p-tolylacrylate

1-Bromo-4-fluorobenzene

Downstream raw materials:

3-(4'-fluoro-phenyl)-6-methyl-1-indanone

Lu 17-050

(1R,3R)-3-(4-Fluoro-phenyl)-6-methyl-indan-1-ol

3-Chloro-1-(4-fluoro-phenyl)-5-methyl-indan