5814-38-0

Basic information

• Product Name: ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE
• Synonyms: benzenebutanoic acid, 4-chloro-alpha,gamma-dioxo-, ethyl e;Ethyl 4-(4-chlorophenyl)-2,4-dioxobutyrate;Benzenebutanoic acid, 4-chloro-.alpha.,.gaMMa.-dioxo-, ethyl ester;Ethyl 4-chloro-a,g-dioxo-benzenebutanoate;2-Oxo-3-[3-chlorobenzoyl]propanoic acid, ethyl ester;4-(4-chlorophenyl)-2,4-diketo-butyric acid ethyl ester;4-(4-chlorophenyl)-2,4-dioxobutanoic acid ethyl ester;Benzenebutanoic acid, 4-chloro-a,g-dioxo-, ethyl ester
• CAS NO: 5814-38-0
• Molecular Formula: C₁₂H₁₁ClO₄
• Molecular Weight: 254.67
• Mol File: 5814-38-0.mol
• Article Data: 33

Chemical Properties

• Melting Point: 61-62.5 °C (decomp)
• Boiling Point: 392.8°Cat760mmHg
• Flash Point: 164.7°C
• Appearance: /
• Density: 1.276g/cm³
• Vapor Pressure: 2.23E-06mmHg at 25°C
• Refractive Index: 1.528
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 5.73±0.25(Predicted)
• CAS DataBase Reference: ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE(5814-38-0)
• EPA Substance Registry System: ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE(5814-38-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 5814-38-0(Hazardous Substances Data)

Usage

General Description

ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE is a chemical compound that belongs to the class of esters. It is formed by the reaction of ethyl 4-chlorophenylpyruvate with ethanol in the presence of a strong acid catalyst. ETHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE is characterized by its aromatic and ester functional groups, and its molecular structure consists of a 4-chlorophenyl group attached to a 2,4-dioxobutanoate moiety. It is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. The presence of the 4-chlorophenyl group in the structure of this compound imparts specific chemical and biological properties, making it useful in various chemical and biochemical processes.

InChI:InChI=1/C12H11ClO4/c1-2-17-12(16)11(15)7-10(14)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3

Upstream product

• 99-91-2 para-chloroacetophenone 
• 95-92-1 oxalic acid diethyl ester 
• 98-86-2 acetophenone 

Downstream Products

• 5814-29-9 5-(4-chloro-phenyl)-1,1-dioxo-1,2(6)-dihydro-1λ⁶-[1,2,6]thiadiazine-3-carboxylic acid ethyl ester 
• 81282-12-4 ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate 
• 70372-52-0 (Z)-3-(2-(4-chlorophenyl)-2-oxoethylidene)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-one 
• 66751-87-9 3-[(Z)-2-(4-chlorophenyl)-2-oxoethylidene]-1,2,3,4-tetrahydroquinoxalin-2-one 
• 1082746-75-5 ethyl 1,5-bis(4-chlorophenyl)-1H-pyrazole-3-carboxylate 
• 1082746-74-4 ethyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate 
• 501426-53-5 1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester 
• 1220524-63-9 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid ethyl ester 
• 1101861-37-3 ethyl 3-(4-chlorophenyl)-1-(2-bromoethyl)-1H-pyrazole-5-carboxylate 
• 1357157-83-5 ethyl 3-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-1H-pyrazole-5-carboxylate 
• 1357157-93-7 (3-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-1H-pyrazol-5-yl)methanol 
• 1357158-04-3 tert-butyl 2-((3-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-1H-pyrazol-5-yl)methoxy)acetate 
• 1357158-09-8 2-((3-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-1H-pyrazol-5-yl)methoxy)ethanol 
• 1357158-14-5 2-((3-(4-chlorophenyl)-1-(2-(diethylamino)ethyl)-1H-pyrazol-5-yl)methoxy)ethyl methanesulfonate 

Relevant articles and documents

Synthesis and Biological Screening of Novel 5-(5-Aryl-1-phenyl-1H-pyrazol-3-yl)-3-aryl-1,2,4-oxadiazole Derivatives

A new series of 5-(5-aryl-1-phenyl-1H-pyrazol-3-yl)-3-aryl-1,2,4-oxadiazole (6a-o) have been synthesized by a cyclocondensation reaction of ethyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate (3a-c) with aryl imidoxime (5a-e). The newly synthesize

Lewis acid-promoted synthesis of highly substituted pyrrole-fused benzoxazinones and quinoxalinones

A synthesis of a series of novel fused tricyclic heterocyclic compounds has been achieved in one-pot reaction set up starting from (E)-3-(2-oxo-2-phenylethylidene)indolin-2-one and 1,4-benzoxazinone/quinoxalinone derivatives promoted by tin(IV) chloride.

Ring-chain transformation of 4-aroyl-5-phenylamino-2,3-dihydrothiophene-2,3-diones: Facile and efficient synthesis of novel pyrrolo[2,3-c]pyrazol-3(2H)-ones and 1,2-dihydro-5H,6H-pyridazine-5,6-diones

Seven, novel pyrrolo[2,3-c]pyrazol-3(2H)-one and 1,2-dihydro-5H,6H-pyridazine-5,6-dione chromophores were synthesized by the reaction of 4-aroyl-5-phenylamino-2,3-dihydrothiophene-2,3-diones with cyanoacetohydrazide and arylhydrazines such as phenylhydrazine and 4-nitrophenylhydrazine. These derivatives were characterized by elemental analysis, IR, UV-Visible, 1H, 13C NMR and mass spectroscopy. Spectral characteristics of the compounds were studied in four organic solvents of differing polarity.