Methyl 4-(2-methoxyphenyl)-4-oxobutanoate

Base Information

• Chemical Name: Methyl 4-(2-methoxyphenyl)-4-oxobutanoate
• CAS No.: 99046-13-6
• Molecular Formula: C12H14O4
• Molecular Weight: 222.241
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10378000
• Nikkaji Number: J3.610.197K
• Wikidata: Q82167424
• Mol file: 99046-13-6.mol

Synonyms:methyl 4-(2-methoxyphenyl)-4-oxobutanoate;99046-13-6;Methyl 4-(2-metoxyphenyl)-4-oxobutanoate;MFCD06245363;Benzenebutanoic acid, 2-methoxy-g-oxo-, methyl ester;DTXSID10378000;BBL101140;STL554936;AKOS005257477;MS-20166;2-HYDRAZINO-2-IMIDAZOLINEHYDROBROMIDE;J3.610.197K;Benzenebutanoic acid,2-methoxy-g-oxo-,methyl ester;4-Oxo-4-(2-methoxyphenyl)butyric acid methyl ester;Benzenebutanoic acid,2-methoxy-g-oxo-, methyl ester

Chemical Property of Methyl 4-(2-methoxyphenyl)-4-oxobutanoate

Chemical Property:

• Vapor Pressure: 6.19E-05mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 345.4 °C at 760 mmHg
• Flash Point: 152.4 °C
• PSA: 52.60000
• Density: 1.122 g/cm³
• LogP: 1.83110
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

methyl4-(2-methoxyphenyl)-4-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=O)CCC(=O)OC

Technology Process of Methyl 4-(2-methoxyphenyl)-4-oxobutanoate

There total 6 articles about Methyl 4-(2-methoxyphenyl)-4-oxobutanoate 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: 87.0%

3-(2-hydroxybenzoyl)propionic acid (39560-34-4) + methyl iodide (74-88-4) → 4-oxo-4-(2-methoxyphenyl)butyric acid methyl ester (99046-13-6)

Guidance literature:

With potassium carbonate; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2008.11.030

Reference yield: 75.0%

C12H14O4 → 4-oxo-4-(2-methoxyphenyl)butyric acid methyl ester (99046-13-6)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; magnesium methanolate; In methanol; at 20 ℃; for 2h;

DOI:10.1039/c7ob00131b

Reference yield:

4-methoxyphenyl magnesium bromide (13139-86-1) → 4-oxo-4-(2-methoxyphenyl)butyric acid methyl ester (99046-13-6)

Guidance literature:

With diethyl ether; cadmium(II) chloride; benzene; Erwaermen der vom Aether befreiten Reaktionsloesung mit Bernsteinsaeure-methylester-chlorid;

DOI:10.1021/ja01176a088 DOI:10.1021/jo01150a010

upstream raw materials:

β-methoxy-γ-oxo-γ-phenylbutanoic acid

4-methoxyphenyl magnesium bromide

2-Methoxyacetophenone

bromoacetic acid methyl ester

Downstream raw materials:

4-(2-Methoxyphenyl)-butanoic acid

β-methoxy-γ-oxo-γ-phenylbutanoic acid

Ethyl 4-(2-Methoxyphenyl)-butanoate

cis-(RR,SS)-γ-hydroxy-β-methoxy-γ-phenylbutanoic acid lactone