3-Oxo-3-m-tolyl-propionic acid methyl ester

Base Information

• Chemical Name: 3-Oxo-3-m-tolyl-propionic acid methyl ester
• CAS No.: 200404-35-9
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50375093
• Nikkaji Number: J2.926.957B
• Wikidata: Q82163632
• Mol file: 200404-35-9.mol

Synonyms:200404-35-9;3-Oxo-3-m-tolyl-propionic acid methyl ester;Methyl 3-oxo-3-(m-tolyl)propanoate;3-Oxo-3-(3-tolyl)propionic acid methyl ester;methyl 3-(3-methylphenyl)-3-oxopropanoate;Methyl 3-oxo-3-m-tolylpropanoate;Methyl 3-Oxo-3-(m-tolyl)propionate;3-Methyl-b-oxo-benzenepropanoic acid methyl ester;SCHEMBL1398937;DTXSID50375093;Methyl3-oxo-3-(m-tolyl)propanoate;AB7592;MFCD00086702;AKOS006272139;DS-10258;CS-0153228;FT-0693531;3-Oxo-3-(3-tolyl)propanoic acid methyl ester;3-(3-Methylphenyl)-3-oxopropanoic acid methyl ester

Chemical Property of 3-Oxo-3-m-tolyl-propionic acid methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.74080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

99%, ^*data from raw suppliers

Methyl3-oxo-3-(m-tolyl)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)CC(=O)OC

Technology Process of 3-Oxo-3-m-tolyl-propionic acid methyl ester

There total 2 articles about 3-Oxo-3-m-tolyl-propionic 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: 95.0%

carbonic acid dimethyl ester (616-38-6) + 3-Methylacetophenone (585-74-0) → methyl 3-(m-tolyl)-3-oxopropanoate (200404-35-9)

Guidance literature:

With sodium hydride; In toluene; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1002/ejoc.201601230

Reference yield:

→ methyl 3-(m-tolyl)-3-oxopropanoate (200404-35-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 3h; Reflux;

Reference yield: 100.0%

methyl 3-(m-tolyl)-3-oxopropanoate (200404-35-9) → C18H18O3

Guidance literature:

methyl 3-oxo-3-(m-tolyl)propanoate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 25 ℃; for 1h; Inert atmosphere;

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

DOI:10.1002/cmdc.202000850

upstream raw materials:

carbonic acid dimethyl ester

3-Methylacetophenone

Downstream raw materials:

3-amino-4-(m-tolyl)-1,2,5-oxadiazole

trans-methyl 3-(methoxyimino)-3-(m-tolyl)propanoate

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