Ethyl 2-(3-benzoylphenyl)propanoate

Base Information

• Chemical Name: Ethyl 2-(3-benzoylphenyl)propanoate
• CAS No.: 60658-04-0
• Molecular Formula: C18H18O3
• Molecular Weight: 282.339
• European Community (EC) Number: 414-920-9
• DSSTox Substance ID: DTXSID00432246
• Nikkaji Number: J1.910.121E
• ChEMBL ID: CHEMBL4168332
• Mol file: 60658-04-0.mol

Synonyms:60658-04-0;Ethyl 2-(3-benzoylphenyl)propanoate;Ketoprofen Ethyl Ester;Benzeneacetic acid, 3-benzoyl-a-Methyl-, ethyl ester;EC 414-920-9;Ketoprofen ethyl;Ethyl 2-(3-Benzoylphenyl)propionate;SCHEMBL9555892;CHEMBL4168332;DTXSID00432246;Ethyl2-(3-benzoylphenyl)propanoate;BS-45472;FT-0670653;F72589;Ethyl 2-(3-Benzoylphenyl)propionate (Ketoprofen Ethyl Ester)

Chemical Property of Ethyl 2-(3-benzoylphenyl)propanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 402.334oC at 760 mmHg
• Flash Point: 176.106oC
• PSA: 43.37000
• Density: 1.111g/cm3
• LogP: 3.58420
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 282.125594432
• Heavy Atom Count: 21
• Complexity: 358

Purity/Quality:

99.9% ^*data from raw suppliers

KetoprofenEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
• Uses: Ketoprofen ethyl ester is an impurity of Ketoprofen (K200800).

Technology Process of Ethyl 2-(3-benzoylphenyl)propanoate

There total 12 articles about Ethyl 2-(3-benzoylphenyl)propanoate 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:

→ ketoprofen (22071-15-4,22161-86-0) + ethyl 2-<3-benzoylphenyl>propionate (60658-04-0)

Guidance literature:

Reference yield:

ethanol (64-17-5) + ketoprofen (22071-15-4,22161-86-0) → ethyl 2-<3-benzoylphenyl>propionate (60658-04-0)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1016/S0040-4020(01)89267-X

Reference yield:

diethyl 2-(3-benzoylphenyl)malonate (75116-77-7) + dimethyl sulfate (77-78-1) → ethyl 2-<3-benzoylphenyl>propionate (60658-04-0)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate; In acetone; at 80 ℃; for 6h;

upstream raw materials:

ethanol

ketoprofen

diethyl 2-(3-benzoylphenyl)malonate

dimethyl sulfate

Downstream raw materials:

ketoprofen

S-ketoprofen

(R)-(-)-2-(3-benzoylphenyl)propionic acid ethyl ester

R-ketoprofen

Refernces

• 1、 Gérard, Doriane,Guéroult, Marc,Casas-Godoy, Leticia,Condoret, Jean-Stéphane,André, Isabelle,Marty, Alain,Duquesne, Sophie. "Efficient resolution of profen ethyl ester racemates by engineered Yarrowia lipolytica Lip2p lipase". . p. 433 - 441. Retrieved 2017/03/24.
• 2、 Hernaiz, Maria J.,Sanchez-Montero, Jose M.,Sinisterra, Jose V.. "Comparison of the enzymatic activity of commercial and semipurified lipase of Candida cylindracea in the hydrolysis of the esters of (R,S) 2-aryl propionic acids". . p. 10749 - 10760. Retrieved 2007/10/02.