Ethyl 4-ethoxy-3-oxobutyrate

Base Information

• Chemical Name: Ethyl 4-ethoxy-3-oxobutyrate
• CAS No.: 41051-14-3
• Molecular Formula: C8H14 O4
• Molecular Weight: 174.197
• Hs Code.: 2918990090
• European Community (EC) Number: 255-187-3
• UNII: FRH3QXC7EA
• DSSTox Substance ID: DTXSID40194018
• Nikkaji Number: J294.815J
• Wikidata: Q83066744
• Mol file: 41051-14-3.mol

Synonyms:ethyl 4-ethoxy-3-oxobutanoate;41051-14-3;Ethyl 4-ethoxy-3-oxobutyrate;FRH3QXC7EA;Butanoic acid,4-ethoxy-3-oxo-, ethyl ester;UNII-FRH3QXC7EA;EINECS 255-187-3;Butanoic acid, 4-ethoxy-3-oxo-, ethyl ester;MFCD00129120;ethyl ethoxyacetoacetate;CCOCC(=O)CC(=O)OCC;SCHEMBL132800;DTXSID40194018;RQCOPVYEHVOEMR-UHFFFAOYSA-N;4-ethoxyacetoacetic acid ethyl ester;AKOS013204005;gamma-ethoxyacetoacetic acid ethyl ester;4-Ethoxy-3-oxobutanoic acid ethyl ester;gamma-ethoxyaceto-acetic acid ethyl ester;SY265039;CS-0043416;4-ETHOXY-3-OXO-BUTYRIC ACID ETHYL ESTER

Chemical Property of Ethyl 4-ethoxy-3-oxobutyrate

Chemical Property:

• Vapor Pressure: 0.0318mmHg at 25°C
• Boiling Point: 243.6°Cat760mmHg
• Flash Point: 100.6°C
• PSA: 52.60000
• Density: 1.039g/cm³
• LogP: 0.54520
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.08920892
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-ethoxy-3-oxobutanoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCC(=O)CC(=O)OCC

Technology Process of Ethyl 4-ethoxy-3-oxobutyrate

There total 11 articles about Ethyl 4-ethoxy-3-oxobutyrate 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: 90.4%

→ ethyl 4-ethoxy-3-oxobutanoate (41051-14-3)

Guidance literature:

Reference yield: 85.8%

ethanol (64-17-5) + ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 4-ethoxy-3-oxobutanoate (41051-14-3)

Guidance literature:

ethanol; With sodium tert-pentoxide; In tetrahydrofuran; at 40 - 45 ℃; for 1h;

ethyl (2-chloroaceto)acetate; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Reagent/catalyst; Solvent;

Reference yield:

ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 4-ethoxy-3-oxobutanoate (41051-14-3)

Guidance literature:

With sodium ethanolate; sodium; In tetrahydrofuran; ethanol; water; acetic acid;

upstream raw materials:

ethyl 2-ethoxyethanoate

ethyl acetate

ethyl bromoacetate

4-bromoethyl acetoacetate

Downstream raw materials:

2-ethoxymethyl-6-methyl-4-(3'-fluoro-4'-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

2-ethoxymethyl-6-methyl-4-(2'-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

2-ethoxymethyl-6-methyl-4-(2'-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester

2-ethoxymethyl-6-methyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester