2-Benzoylbutyric acid methyl ester

Base Information

• Chemical Name: 2-Benzoylbutyric acid methyl ester
• CAS No.: 5336-76-5
• Molecular Formula: C12H14 O3
• Molecular Weight: 206.241
• Hs Code.: 2918300090
• Mol file: 5336-76-5.mol

Synonyms:Butyricacid, 2-benzoyl-, methyl ester (8CI); Methyl a-benzoyl-a-ethylacetate; NSC 367; a-Benzoylbutyric acid methyl ester

Chemical Property of 2-Benzoylbutyric acid methyl ester

Chemical Property:

• Vapor Pressure: 1.24E-05mmHg at 25°C
• Boiling Point: 368.8°C at 760 mmHg
• PKA: 10.95±0.26(Predicted)
• Flash Point: 176.8°C
• PSA: 43.37000
• Density: 1.258g/cm³
• LogP: 2.06850

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Benzoylbutyric acid methyl ester

There total 14 articles about 2-Benzoylbutyric acid methyl ester 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: 100.0%

methyl 3-oxo-3-phenylpropionate (614-27-7) → methyl 2-benzoylbutanoate (5336-76-5)

Guidance literature:

methyl 3-oxo-3-phenylpropionate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 25 ℃; for 1h; Inert atmosphere;

ethyl halide; In tetrahydrofuran; mineral oil; at 0 ℃;

DOI:10.1002/cmdc.202000850

Reference yield: 67.0%

crotonic acid methyl ester (623-43-8) + benzoyl chloride (98-88-4) → methyl 2-benzoylbutanoate (5336-76-5)

Guidance literature:

With Wilkinson's catalyst; 1,5-cis,cis-cyclooctadiene; diethylzinc; In tetrahydrofuran; hexane; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/adsc.201100463

Reference yield: 47.0%

benzoyl cyanide (613-90-1) + (1-methoxybut-1-enyloxy)trimethylsilane (55453-12-8) → methyl 2-benzoylbutanoate (5336-76-5)

Guidance literature:

methanol; titanium tetrachloride; In dichloromethane; addition of reagents at -78 deg C, 2 h; reaction at room temperature;

upstream raw materials:

diazomethane

ethylbenzoylacetate

benzoic acid methyl ester

butanoic acid methyl ester

Downstream raw materials:

methyl 2-ethyl-3-hydroxy-3-phenylpropionate

methyl 2-ethyl-3-hydroxy-3-phenylpropionate

erythro-2-ethyl 3-hydroxy 3-phenylpropanoic methyl ester

threo-2-ethyl 3-hydroxy 3-phenylpropanoic methyl ester

Refernces

• 1、 Zhang, Jing,Yang, Yang,Qian, Xing-Kai,Song, Pei-Fang,Zhao, Yi-Shu,Guan, Xiao-Qing,Zou, Li-Wei,Bao, Xiaoze,Wang, Hong. "Design, Synthesis, and Structure-Activity Relationship Study of Pyrazolones as Potent Inhibitors of Pancreatic Lipase". supporting information. p. 1600 - 1604. Retrieved 2021/03/03.
• 2、 McAtee, Rory C.,Beatty, Joel W.,McAtee, Christopher C.,Stephenson, Corey R. J.. "Radical Chlorodifluoromethylation: Providing a Motif for (Hetero)arene Diversification". supporting information. p. 3491 - 3495. Retrieved 2018/06/26.