3-(4-Methylphenyl)-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-(4-Methylphenyl)-3-phenylpropanoic acid
• CAS No.: 4073-42-1
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• DSSTox Substance ID: DTXSID90407827
• Nikkaji Number: J3.332.796J
• Mol file: 4073-42-1.mol

Synonyms:3-(4-methylphenyl)-3-phenylpropanoic acid;4073-42-1;CHEMBRDG-BB 5525477;3-Phenyl-3-(p-tolyl)propanoic acid;SCHEMBL9155517;DTXSID90407827;3-Phenyl-3-(p-tolyl)propanoicacid;MFCD00436200;3-(4-tolyl)-3-phenylpropionic acid;AKOS003596056;AKOS022184363

Chemical Property of 3-(4-Methylphenyl)-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 2.54E-06mmHg at 25°C
• Boiling Point: 376°C at 760 mmHg
• Flash Point: 272.9°C
• Density: 1.125g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 260

Purity/Quality:

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=CC=C2

Technology Process of 3-(4-Methylphenyl)-3-phenylpropanoic acid

There total 13 articles about 3-(4-Methylphenyl)-3-phenylpropanoic 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-methylcinnamic acid (1866-39-3,940-61-4) + phenylboronic acid (98-80-6) → 3-phenyl-3-(p-tolyl)propanoic acid (4073-42-1)

Guidance literature:

With [2,2]bipyridinyl; palladium diacetate; acetic acid; In tetrahydrofuran; water; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.7b01248

Reference yield: 97.0%

4-methylphenylboronic acid (5720-05-8) + Cinnamic acid (621-82-9) → 3-phenyl-3-(p-tolyl)propanoic acid (4073-42-1)

Guidance literature:

With [2,2]bipyridinyl; palladium diacetate; acetic acid; In tetrahydrofuran; water; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.7b01248

Reference yield: 96.0%

(E)-3-phenylacrylic acid (140-10-3) + 4-methylphenylboronic acid (5720-05-8) → 3-phenyl-3-(p-tolyl)propanoic acid (4073-42-1)

Guidance literature:

With dichloro(2,2'-bipyridine)palladium(II); silver nitrate; In water; at 60 ℃; for 12h; Green chemistry;

DOI:10.1016/j.tetlet.2018.02.013

upstream raw materials:

3-phenyl-3-p-tolyl-acrylic acid

Cinnamic acid

toluene

(4-methyl-benzhydryl)-malonic acid

Downstream raw materials:

3-phenyl-3-p-tolylpropan-1-ol

1-[3-(4-methylphenyl)-3-phenylpropyl]-N,N-dimethylamine

N,N-dimethyl-3-phenyl-3-(p-tolyl)propanamide

1-[2-methoxy-2-(4-methylphenyl)ethyl]benzene

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