ethyl 2-benzoyl-3-methylbutanoate

Base Information

• Chemical Name: ethyl 2-benzoyl-3-methylbutanoate
• CAS No.: 25491-47-8
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.295
• Mol file: 25491-47-8.mol

Synonyms:Butyricacid, 2-benzoyl-3-methyl-, ethyl ester (8CI); NSC 78918

Chemical Property of ethyl 2-benzoyl-3-methylbutanoate

Chemical Property:

• Vapor Pressure: 0.000719mmHg at 25°C
• Boiling Point: 307.6°C at 760 mmHg
• Flash Point: 130.6°C
• PSA: 43.37000
• Density: 1.044g/cm³
• LogP: 2.70460

Purity/Quality:

99% ^*data from raw suppliers

ethyl2-benzoyl-3-methylbutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ethyl 2-benzoyl-3-methylbutanoate

There total 10 articles about ethyl 2-benzoyl-3-methylbutanoate 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: 75.0%

Ethyl isovalerate (108-64-5) + benzoyl chloride (98-88-4) → 2-benzoyl-3-methyl-butyric acid ethyl ester (25491-47-8)

Guidance literature:

Ethyl isovalerate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

benzoyl chloride; In tetrahydrofuran; at -78 - 20 ℃; for 3h; Inert atmosphere;

Reference yield: 65.0%

benzoyl cyanide (613-90-1) + 1-ethoxy-3-methyl-1-trimethylsiloxybut-1-ene (63547-55-7) → 2-benzoyl-3-methyl-butyric acid ethyl ester (25491-47-8)

Guidance literature:

titanium tetrachloride; In dichloromethane; addition of reagents under cooling (ice-cold water); reaction at room temperature;

Reference yield: 51.0%

Ethyl isovalerate (108-64-5) + benzoic acid ethyl ester (93-89-0,99341-95-4) → 2-benzoyl-3-methyl-butyric acid ethyl ester (25491-47-8)

Guidance literature:

With sodium hydride; In 1,2-dimethoxyethane;

DOI:10.1016/j.bmcl.2016.07.026

upstream raw materials:

Ethyl isovalerate

benzoic acid ethyl ester

2-iodo-propane

ethyl 3-oxo-3-phenylpropionate

Downstream raw materials:

ethyl 3-oxo-3-phenylpropionate

2-benzoyl-3-methyl-pentanoic acid ethyl ester

6-isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C₁₃H₁₅N₃O