Methyl 3-chloro-2-oxo-3-phenylpropanoate

Base Information

• Chemical Name: Methyl 3-chloro-2-oxo-3-phenylpropanoate
• CAS No.: 32803-73-9
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.633
• European Community (EC) Number: 843-054-8
• Nikkaji Number: J1.281.884J
• Mol file: 32803-73-9.mol

Synonyms:methyl 3-chloro-2-oxo-3-phenylpropanoate;32803-73-9;SCHEMBL496468;LQGLOOLNAIZIIW-UHFFFAOYSA-N;AKOS014045829;methyl3-chloro-2-oxo-3-phenylpropanoate;methyl 3-phenyl-3-chloro-2-oxopropionate;FT-0738758;EN300-83888;3-chloro-2-oxo-3-phenyl-propionic acid methyl ester;3-chloro-3-phenyl-2-oxo-propionic acid methyl ester;Z1245785005

Chemical Property of Methyl 3-chloro-2-oxo-3-phenylpropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.70860
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.0240218
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

Methyl3-chloro-2-oxo-3-phenylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C(C1=CC=CC=C1)Cl

Technology Process of Methyl 3-chloro-2-oxo-3-phenylpropanoate

There total 7 articles about Methyl 3-chloro-2-oxo-3-phenylpropanoate 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: 91.0%

dichloroacetic acid methyl ester (116-54-1) + benzaldehyde (100-52-7) → methyl 3-phenyl-3-chloro-2-ketopropionate (32803-73-9)

Guidance literature:

With sodium methylate; In tetrahydrofuran; methanol; at -50 - 20 ℃;

DOI:10.1016/S0957-4166(00)00418-3

Reference yield: 72.0%

dimethyl 2,2-dichloromalonate (29653-30-3) + benzaldehyde (100-52-7) → methyl 3-phenyl-3-chloro-2-ketopropionate (32803-73-9)

Guidance literature:

With sodium methylate; In diethyl ether; 1) 0 deg C, 2 h, 2) 20 deg C, 10 h;

DOI:10.1007/BF00714435

Reference yield:

(erythro-threo)-methyl-2-cyano-3-fluoro-2-hydroxy-3-phenylpropanoate (90179-18-3) → methyl 3-phenyl-3-chloro-2-ketopropionate (32803-73-9) + benzaldehyde (100-52-7)

Guidance literature:

With silica gel; cobalt(II) chloride; In benzene; at 78 ℃; for 19h; var. reag.: silica-gel-supported CuCl₂, and only CuCl₂ and CoCl₂; var. solv.: chlorobenzene, var.time and temp.;

upstream raw materials:

(erythro-threo)-methyl-2-cyano-3-fluoro-2-hydroxy-3-phenylpropanoate

dichloroacetic acid methyl ester

benzaldehyde

dimethyl 2,2-dichloromalonate

Downstream raw materials:

2-Allylamino-5-phenyl-thiazole-4-carboxylic acid methyl ester; hydrochloride

2-methoxycarbonyl-3-phenylimidazo<1,2-a>quinoline

3,5-dimethyl-1H-pyrazole

5-Phenyl-thiazole-4-carboxylic acid methyl ester; hydrochloride