Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate

Base Information

• Chemical Name: Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
• CAS No.: 108783-91-1
• Molecular Formula: C13H14 O5
• Molecular Weight: 250.251
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20396659
• Mol file: 108783-91-1.mol

Synonyms:methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate;108783-91-1;methyl 4-ethoxybenzoylpyruvate;DTXSID20396659;MFCD05686794;AKOS000267065;BS-26214;CS-0207029;EN300-13983;SR-01000072822;SR-01000072822-1;BRD-K95701179-001-01-7;Z94602403

Chemical Property of Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate

Chemical Property:

• Vapor Pressure: 2.57E-07mmHg at 25°C
• Boiling Point: 407°Cat760mmHg
• Flash Point: 182°C
• PSA: 69.67000
• Density: 1.182g/cm³
• LogP: 1.40020
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 250.08412354
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(4-ethoxyphenyl)-2,4-dioxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)CC(=O)C(=O)OC

Technology Process of Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate

There total 1 articles about Methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate 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%

Dimethyl oxalate (553-90-2) + 4'-ethoxyacetophenone (1676-63-7) → 4-(4-ethoxyphenyl)-2,4-dioxo-butyric acid methyl ester (108783-91-1)

Guidance literature:

4'-ethoxyacetophenone; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.75h; Inert atmosphere;

Dimethyl oxalate; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b01913

Reference yield: 93.0%

benzaldehyde (100-52-7) + 4-(4-ethoxyphenyl)-2,4-dioxo-butyric acid methyl ester (108783-91-1) + N,N-diethylethylenediamine (100-36-7) → 1-(2-diethylamino-ethyl)-4-(4-ethoxy-benzoyl)-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.1007/BF02464279

Reference yield: 92.0%

4-(4-ethoxyphenyl)-2,4-dioxo-butyric acid methyl ester (108783-91-1) + 4-bromo-benzaldehyde (1122-91-4) + N,N-diethylethylenediamine (100-36-7) → 5-(4-bromo-phenyl)-1-(2-diethylamino-ethyl)-4-(4-ethoxy-benzoyl)-3-hydroxy-1,5-dihydro-pyrrol-2-one

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.1007/BF02464279

upstream raw materials:

Dimethyl oxalate

4'-ethoxyacetophenone

Downstream raw materials:

(Z)-3-(4-ethoxyphenacylidene)-1-phenyl-1,2,3,4-tetrahydroquinoxalin-2-one

3-(4-ethoxybenzoyl)-5-phenyl-1,2,4,5-tetrahydropyrrolo[1,2-a]quinoxaline-1,2,4-trione

3-(4-ethoxybenzoyl)pyrrolo[1,2-a]quinoxaline-1,2,4(5H)-trione

3-(4-ethoxybenzoyl)furo[3,2-b]quinoxalin-2(4H)-one