2-(3-benzylphenyl)propanoic Acid

Base Information

• Chemical Name: 2-(3-benzylphenyl)propanoic Acid
• CAS No.: 73913-48-1
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.302
• DSSTox Substance ID: DTXSID00449455
• ChEMBL ID: CHEMBL192468
• Mol file: 73913-48-1.mol

Synonyms:Deoxyketoprofen;2-(3-benzylphenyl)propanoic Acid;73913-48-1;CHEMBL192468;SCHEMBL2319534;DTXSID00449455;RYYYTOGKTKBJDJ-UHFFFAOYSA-N;2-(3-benzylphenyl) propionic acid;alpha-(3-benzylphenyl)propionic acid;AKOS023925468;FT-0665836

Chemical Property of 2-(3-benzylphenyl)propanoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 59-60 °C
• Boiling Point: 386.53oC at 760 mmHg
• PKA: 4.34±0.10(Predicted)
• Flash Point: 283.377oC
• PSA: 37.30000
• Density: 1.125g/cm3
• LogP: 3.46550
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 268

Purity/Quality:

95% ^*data from raw suppliers

DeoxyKetoprofen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)O
• Uses: Intermediate in the preparation of antiinflammatory agents

Technology Process of 2-(3-benzylphenyl)propanoic Acid

There total 29 articles about 2-(3-benzylphenyl)propanoic 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: 93.0%

5-benzylbenzothiophene-3-carboxylic acid (84548-81-2) → α-(3-benzylphenyl)-propionic acid (22161-82-6,75116-79-9,75196-29-1,73913-48-1)

Guidance literature:

With sodium hydroxide; nickel; In ethanol; water; at 70 - 80 ℃; for 4h;

Reference yield: 90.0%

2-(3-benzylphenyl)propionic acid 3-chloro-2,2-dimethylpropyl ester (259878-91-6) → α-(3-benzylphenyl)-propionic acid (22161-82-6,75116-79-9,75196-29-1,73913-48-1)

Guidance literature:

With sodium hydroxide; In methanol; for 3.5h; Heating;

Reference yield: 86.0%

(2RS,3SR)-3-(3'-benzylphenyl)butane-1,2-diol → α-(3-benzylphenyl)-propionic acid (22161-82-6,75116-79-9,75196-29-1,73913-48-1)

Guidance literature:

With ruthenium trichloride; sodium periodate; In tetrachloromethane; water; acetonitrile; Ambient temperature;

DOI:10.1016/0040-4020(95)00805-I

upstream raw materials:

5-benzylbenzothiophene-3-carboxylic acid

5-benzoylbenzothiophene-3-carboxylic acid

2-(3-benzylphenyl)propionic acid 3-chloro-2,2-dimethylpropyl ester

(RS)-2-(3'-iodophenyl)propanoic acid

Downstream raw materials:

(3-acetylphenyl)(phenyl)methanone

ketoprofen chloride

2-(3-benzylphenyl)propanehydrazide

1-[2-(3-benzylphenyl)propanoyl]-5-hydroxycarbamoylcarbazide

Refernces

• 1、 -. "COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION". . . Retrieved 2015/06/03.
• 2、 -. "COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION". . . Retrieved 2013/12/03.