a-Methyl-b-oxo-benzenepropanoic acid methyl ester

Base Information

• Chemical Name: a-Methyl-b-oxo-benzenepropanoic acid methyl ester
• CAS No.: 29540-54-3
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• Mol file: 29540-54-3.mol

Synonyms:a-Methyl-b-oxo-benzenepropanoic acid methyl ester

Chemical Property of a-Methyl-b-oxo-benzenepropanoic acid methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.67840
• Storage Temp.: -20°C Freezer
• Solubility.: Dichloromethane

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Methyl-3-oxo-3-phenylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 2-Methyl-3-oxo-3-phenylpropanoate is an intermediate in the synthesis of Pyrametostrobin (P847010), a novel fungicide. Also, it is derived from 1-Methyl-2-nitrobenzene (N572306), which is a toxic pollutant of the environment because of its large scale use in the production of explosives. It is a useful synthetic intermediate. It shows carcinogenic activity in rats.

Technology Process of a-Methyl-b-oxo-benzenepropanoic acid methyl ester

There total 38 articles about a-Methyl-b-oxo-benzenepropanoic 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: 90.0%

Methyl 2-bromopropionate (5445-17-0) + benzoyl chloride (98-88-4) → methyl 2-benzoylpropionate (32742-19-1,116782-25-3,29540-54-3)

Guidance literature:

With 1-methyl-1H-imidazole; titanium tetrachloride; triphenylphosphine; In dichloromethane; at -50 - -45 ℃;

DOI:10.1246/cl.2007.48

Reference yield: 87.0%

methyl 3-hydroxy-2-methylidene-3-phenylpropionate (18020-59-2) → methyl 2-benzoylpropionate (32742-19-1,116782-25-3,29540-54-3)

Guidance literature:

With iron pentacarbonyl; In pentane; for 1h; UV-irradiation;

DOI:10.1016/S0040-4020(01)00114-4

Reference yield: 85.0%

3-benzoyl-2-(2-benzoylpropionyloxy)-1-methylpyrrolo<2,1-a>isoquinoline (90069-62-8) → methyl 2-benzoylpropionate (32742-19-1,116782-25-3,29540-54-3) + 3-benzoyl-2-hydroxy-1-methylpyrrolo<2,1-a>isoquinoline (90069-64-0)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; for 0.5h; Ambient temperature;

upstream raw materials:

benzoic acid methyl ester

propanoic acid methyl ester

sodium methylate

Methyl 2-bromopropionate

Downstream raw materials:

4-methyl-3-phenyl-2H-isoxazol-5-one

methyl 2-benzoyl-2-(p-methoxyphenyl)propionate

methyl 3-hydroxy-2-methyl-3-phenylpropanoate

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

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