Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate

Base Information

• Chemical Name: Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
• CAS No.: 14563-40-7
• Molecular Formula: C13H16 O5
• Molecular Weight: 252.267
• NSC Number: 286138
• DSSTox Substance ID: DTXSID10314569
• Nikkaji Number: J827.828H
• Wikidata: Q82066471
• Mol file: 14563-40-7.mol

Synonyms:14563-40-7;methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate;NSC286138;Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutyrate;DTXSID10314569;AKOS005943782;NSC 286138;NSC-286138;methyl4-(3,4-dimethoxyphenyl)-4-oxobutanoate;4-Oxo-4-(3,4-dimethoxyphenyl)butyric acid methyl ester

Chemical Property of Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate

Chemical Property:

• Vapor Pressure: 3.39E-06mmHg at 25°C
• Boiling Point: 387°Cat760mmHg
• Flash Point: 208.3°C
• Density: 1.136g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 252.09977361
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)CCC(=O)OC)OC

Technology Process of Methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate

There total 9 articles about Methyl 4-(3,4-dimethoxyphenyl)-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: 100.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-(3,4-dimethoxybenzoyl)propionic acid (5333-34-6) → methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (14563-40-7)

Guidance literature:

In diethyl ether;

Reference yield: 73.0%

3-(3,4-dimethoxybenzoyl)propionic acid (5333-34-6) + dimethyl sulfate (77-78-1) → methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (14563-40-7)

Guidance literature:

With potassium carbonate; In acetone; Heating;

Reference yield: 34.0%

3-(3,4-dimethoxybenzoyl)propionic acid (5333-34-6) + methyl iodide (74-88-4) → methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate (14563-40-7)

Guidance literature:

3-(3,4-dimethoxybenzoyl)propionic acid; methyl iodide; With potassium carbonate; at 20 ℃; for 20h;

In N,N-dimethyl-formamide; acetone; for 6h;

DOI:10.1021/acs.joc.9b02843

upstream raw materials:

3-(3,4-dimethoxybenzoyl)propionic acid

1,2-dimethoxybenzene

succinoyl dichloride

succinic acid monomethylester chloride

Downstream raw materials:

3-(3,4-dimethoxybenzoyl)propionic acid

(R)-4-(3,4-Dimethoxy-phenyl)-4-hydroxy-butyric acid methyl ester

6-(3,4-dimethoxy-phenyl)-2,3,4,5-tetrahydropyridazin-3-one

methyl 4-(3,4-dimethoxyphenyl)-4-hydroxybutanoate