ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE

Base Information

• Chemical Name: ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE
• CAS No.: 5814-38-0
• Molecular Formula: C12H11ClO4
• Molecular Weight: 254.67
• Hs Code.: 2918300090
• Mol file: 5814-38-0.mol

Synonyms:4-(4-Chlor-phenyl)-2,4-dioxo-buttersaeure-aethylester;ethyl 4-(4-chloro-phenyl)-2,4-dioxobutanoate;Ethyl 4-chloro-a,g-dioxo-benzenebutanoate;Ethyl 4-[4-chlorophenyl]-2,4-dioxobutyrate;ethyl 4-(4-cholorophenyl)-2,4-dioxobutanonate;ethyl 4-chlorobenzoylpyruvate;4-(4-chlorophenyl)-2,4-dioxobutyric acid ethyl ester;

Chemical Property of ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE

Chemical Property:

• Vapor Pressure: 2.23E-06mmHg at 25°C
• Melting Point: 61-62.5 °C (decomp)
• Boiling Point: 392.8°Cat760mmHg
• PKA: 5.73±0.25(Predicted)
• Flash Point: 164.7°C
• PSA: 60.44000
• Density: 1.276g/cm³
• LogP: 2.04500
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(4-chlorophenyl)-2,4-dioxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE

There total 3 articles about ETHYL 4-(4-CHLOROPHENYL)-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: 100.0%

para-chloroacetophenone (99-91-2) + oxalic acid diethyl ester (95-92-1) → ethyl 4-chlorobenzoylpyruvate (5814-38-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 1h; Reflux;

DOI:10.1021/acs.jmedchem.7b01845

Reference yield: 77.0%

oxalic acid diethyl ester (95-92-1) → ethyl 4-chlorobenzoylpyruvate (5814-38-0)

Guidance literature:

para-chloroacetophenone; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 - 20 ℃; for 0.5h;

oxalic acid diethyl ester; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 17h;

Reference yield:

acetophenone (98-86-2) + oxalic acid diethyl ester (95-92-1) → ethyl 4-chlorobenzoylpyruvate (5814-38-0)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1016/j.bmcl.2021.127996

upstream raw materials:

para-chloroacetophenone

oxalic acid diethyl ester

acetophenone

Downstream raw materials:

5-(4-chloro-phenyl)-1,1-dioxo-1,2(6)-dihydro-1λ⁶-[1,2,6]thiadiazine-3-carboxylic acid ethyl ester

ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate

(Z)-3-(2-(4-chlorophenyl)-2-oxoethylidene)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-one

6-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-2-methyl-3-thioxo-3,4-dihydro-2H-[1,2,4]triazin-5-one