2881-63-2

Basic information

• Product Name: 3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
• Synonyms: ETHYL 3-(4-CHLOROPHENYL)-3-OXOPROPANOATE;ETHYL (4-CHLOROBENZOYL)ACETATE;3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER;Ethyl 3-(4-chlorophenyl)-3-oxo-propionate;3-(4-chlorophenyl)-3-keto-propionic acid ethyl ester;3-(4-Chlorophenyl)-3-oxopropanoic acid ethyl ester;NSC 406743;Ethyl (4-chlorobenzoyl)acetate, >=97%
• CAS NO: 2881-63-2
• Molecular Formula: C₁₁H₁₁ClO₃
• Molecular Weight: 226.66
• Product Categories: C10 to C11;Carbonyl Compounds;Esters
• Mol File: 2881-63-2.mol
• Article Data: 73

Chemical Properties

• Melting Point: 38 °C(Solv: ethanol (64-17-5))
• Boiling Point: 268-269 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.218 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000476mmHg at 25°C
• Refractive Index: n20/D 1.5500(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Acetone
• PKA: 9.56±0.25(Predicted)
• CAS DataBase Reference: 3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(2881-63-2)
• EPA Substance Registry System: 3-(4-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER(2881-63-2)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 2881-63-2(Hazardous Substances Data)

Usage

Uses

Ethyl (4-chlorobenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-chloro)phenylquinoxaline 1,4-dioxide.

InChI:InChI=1/C11H11ClO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3

Upstream product

• 141-52-6 sodium ethanolate 
• 99-91-2 para-chloroacetophenone 
• 105-58-8 Diethyl carbonate 
• 1007476-32-5 sodium ethyl acetylacetate enolate 
• 122-01-0 4-chloro-benzoyl chloride 
• 141-97-9 ethyl acetoacetate 
• 105-36-2 ethyl bromoacetate 
• 122334-37-6 4-chloro-N-methoxy-N-methylbenzamide 
• 141-78-6 ethyl acetate 
• 623-73-4 diazoacetic acid ethyl ester 
• 104-88-1 4-chlorobenzaldehyde 
• 70200-14-5 ethyl 3-hydroxy-3-(4-chlorophenyl)propanoate 
• 124-63-0 methanesulfonyl chloride 
• 58583-02-1 5,2'-dichloro-2-(4-hydroxymethyl-1⁽²⁾H-pyrazol-3-yl)-benzophenone 

Downstream Products

• 100956-97-6 5-(4-chloro-phenyl)-2-(1-methyl-piperidin-4-yl)-1,2-dihydro-pyrazol-3-one 
• 100716-77-6 ethyl 2-(4-chlorobenzoyl)pent-4-ynoate 
• 36479-17-1 6-(4-chlorophenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 
• 962-05-0 3-(4-chlorophenyl)-3-oxo-N-phenylpropanamide 
• 98305-75-0 2-Amino-6-(4-chloro-phenyl)-3H-pyrimidin-4-one 
• 58582-97-1 ethyl 1-(4'-chlorophenyl)-3-(dimethylamino)-prop-2-enone-2-carboxylate 
• 37925-26-1 (2RS,3RS)-2-amino-3-(4-chloro-phenyl)-3-hydroxy-propionic acid ethyl ester 
• 91634-56-9 8-chloro-6-(4-chloro-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 
• 94712-89-7 N¹,N¹-diethyl-N⁴-[6-(4-chloro-phenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-pentane-1,4-diamine 
• 173409-31-9 3-(4-chlorophenyl)-1-methyl-2-pyrazolin-5-one 
• 862588-62-3 3-(4-chlorophenyl)-1-methyl-5-hydroxypyrazole 
• 60868-41-9 ethyl 3-(2,4-dichlorophenyl)-3-oxopropionate 
• 784202-22-8 ethyl 4-chloro-α-[(dimethylamino)methylene]-β-oxobenzenepropanoate 
• 141545-22-4 (R)-3-hydroxy-3-(4-chlorophenyl)-propionic acid ethyl ester 

Relevant articles and documents

Annulation-retro-Claisen cascade of bifunctional peroxides for the synthesis of lactone natural products

A new and highly efficient annulation-retro-Claisen cascade, which involves the [4 + 1] or [5 + 1] annulation of α-benzoylacetates with bielectrophilic peroxides and a subsequent debenzoylation process under mild basic conditions, has been developed for the rapid construction of valuable tetrahydrofuran- and dihydropyran-2-carboxylates in good yields. By employing the new reaction, the unified total synthesis of γ- and δ-lactone natural products such as (±)-tanikolide, (±)-goniothalamins, (±)-7-epi-goniodiol, and (±)-plakolide A has been accomplished in 4-7 steps.

Electrochemical Oxidative Cyclization: Synthesis of Polysubstituted Pyrrole from Enamines

A conceptually novel method for the preparation of pyrrole is described by electrochemical-oxidation-induced intermolecular annulation via enamines. In a simple undivided cell, based on a sodium acetate-facilitated, polysubstituted pyrrole derivations has been facilely synthesized under external oxidant-free condition. This electrosynthetic approach providing an environmentally benign protocol for C?C bond cross-coupling and oxidative annulation, which features unparalleled broad scope of substrates and practicality.

Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights

A rhodium-catalyzed denitrogenative formal (3 + 3) transannulation of 1,2,3-thiadiazoles with alk-2-enals is achieved, producing 2,3-dihydrothiopyran-4-ones in moderate to excellent yields. An inverse KIE of 0.49 is obtained, suggesting the reversibility of the oxidative addition of thioacyl Rh(i) carbenes to alk-2-enals. The late-stage structural modifications of steroid compounds are realized. Moreover, our studies show that thioacyl carbenes have different reactivities to those of α-oxo and α-imino carbenes, and highlight the importance of heteroatoms in deciding the reactivities of heterovinyl carbenes.