Methyl 3-(2-methylphenyl)-3-oxopropanoate

Base Information

• Chemical Name: Methyl 3-(2-methylphenyl)-3-oxopropanoate
• CAS No.: 147501-26-6
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• European Community (EC) Number: 673-467-7
• DSSTox Substance ID: DTXSID90375092
• Wikidata: Q82163631
• Mol file: 147501-26-6.mol

Synonyms:147501-26-6;methyl 3-(2-methylphenyl)-3-oxopropanoate;3-oxo-3-(2-tolyl)propionic acid methyl ester;Methyl 3-oxo-3-(o-tolyl)propanoate;methyl 3-oxo-3-o-tolylpropanoate;Methyl 3-Oxo-3-(2-methylphenyl)propionate;3-Oxo-3-o-tolyl-propionic acid methyl ester;MFCD03424779;methyl2-methylbenzoylacetate;methyl 2-methylbenzoylacetate;SCHEMBL3166061;DTXSID90375092;JWIUIMDIPDFRDI-UHFFFAOYSA-N;XFA50126;AB7593;AKOS006276413;Methyl 2-methyl-b-oxo-benzenepropanoate;SY122683;Methyl3-Oxo-3-(2-methylphenyl)propionate;3-oxo-3-o-tolylPropanoic acid methyl ester;CS-0142291;FT-0727546;3-oxo-3-(2-tolyl)Propanoic acid methyl ester;EN300-1126988;A919567;2-methyl-beta-oxo-benzenepropanoic acid methyl ester;Benzenepropanoic acid, 2-methyl-beta-oxo-, methyl ester

Chemical Property of Methyl 3-(2-methylphenyl)-3-oxopropanoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.74080
• 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:

97% ^*data from raw suppliers

Methyl3-oxo-3-(o-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=C1C(=O)CC(=O)OC

Technology Process of Methyl 3-(2-methylphenyl)-3-oxopropanoate

There total 8 articles about Methyl 3-(2-methylphenyl)-3-oxopropanoate 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: 86.0%

carbonic acid dimethyl ester (616-38-6) + 2-Methylacetophenone (577-16-2,122382-54-1) → methyl 3-oxo-3-(o-tolyl) propanoate (147501-26-6)

Guidance literature:

With sodium hydride; In toluene; mineral oil; for 0.5h; Reflux;

DOI:10.1055/s-0035-1561283

Reference yield: 56.0%

methyl (2E)-3-methoxy-2-propenoate (5788-17-0) + 2-methylphenyl bromide (95-46-5) → methyl 3-oxo-3-(o-tolyl) propanoate (147501-26-6)

Guidance literature:

methyl (2E)-3-methoxy-2-propenoate; 2-methylphenyl bromide; With Tedicyp; sodium hydrogencarbonate; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; at 150 ℃; for 20h;

With hydrogenchloride; In dichloromethane; water; at 25 ℃;

DOI:10.1016/j.tetlet.2005.11.071

Reference yield:

methyl 3-hydroxy-3-(2-methylphenyl)propionate (124393-57-3) → methyl 3-oxo-3-(o-tolyl) propanoate (147501-26-6)

Guidance literature:

With jones reagent; In acetone; at 5 ℃; Yield given;

DOI:10.1021/jo981433b

upstream raw materials:

methyl 3-hydroxy-3-(2-methylphenyl)propionate

methyl (2E)-3-methoxy-2-propenoate

2-methylphenyl bromide

2-methylphenyl aldehyde

Downstream raw materials:

2,2-Dimethyl-3-oxo-3-o-tolyl-propionic acid methyl ester

methyl (2Z)-3-(dimethylamino)-2-(2-methylbenzoyl)acrylate

(3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-o-tolyl-isoxazol-3-yl}-phenyl)-acetic acid methyl ester

3-amino-3-(2-methylphenyl)acrylic acid methyl ester