53503-49-4

Basic information

• Product Name: 4-(4-CHLORO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER
• Synonyms: 4-(4-CHLORO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER;ETHYL 4-(4-CHLOROPHENYL)-4-OXOBUTYRATE
• CAS NO: 53503-49-4
• Molecular Formula: C₁₂H₁₃ClO₃
• Molecular Weight: 240.68
• Mol File: 53503-49-4.mol
• Article Data: 22

Chemical Properties

• Melting Point: 56 °C(Solv: ethanol (64-17-5))
• Boiling Point: 358.096°C at 760 mmHg
• Flash Point: 146.733°C
• Appearance: /
• Density: 1.189g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: 4-(4-CHLORO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-CHLORO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER(53503-49-4)
• EPA Substance Registry System: 4-(4-CHLORO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER(53503-49-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 53503-49-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 26, p. 5559, 1985 DOI: 10.1016/S0040-4039(01)80887-X

InChI:InChI=1/C12H13ClO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3

Upstream product

• 106-39-8 bromochlorobenzene 
• 29473-56-1 2-ethoxypyrrolin-5-one 
• 117726-73-5 1-Ethoxy-1-(tert-butyldimethylsiloxy)cyclopropan 
• 122-01-0 4-chloro-benzoyl chloride 
• 104089-16-9 2-ethoxycarbonyethylzinc iodide 
• 174869-05-7 α-(2-ethoxycarbonylethyl)-4,4'-dichlorobenzoin 
• 6414-69-3 ethyl 3-iodopropanoate 
• 623-73-4 diazoacetic acid ethyl ester 
• 55949-66-1 4-[1-(4-chloro-phenyl)-vinyl]-morpholine 
• 3457-46-3 4,4'-dichlorobenzil 
• 140-88-5 ethyl acrylate 
• 104-88-1 4-chlorobenzaldehyde 
• 64-17-5 ethanol 
• 3984-34-7 4-(4-chlorophenyl)-4-oxobutanoic acid 

Downstream Products

• 35158-46-4 3-bromo-4-(4-chloro-phenyl)-4-oxo-butyric acid ethyl ester 
• 77893-47-1 2-(4-chlorophenyl)-4-oxo-2-cyclohexen-1-ylacetic acid 
• 136343-87-8 (Z)-4-Chloro-4-(4-chloro-phenyl)-3-formyl-but-3-enoic acid ethyl ester 
• 18410-18-9 γ-(4-chlorophenyl)-γ-butyrolactone 
• 89058-34-4 4-(4-chlorophenyl)pent-4-enal 
• 82626-74-2 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetic acid 
• 193979-48-5 ethyl 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetate 
• 362512-44-5 [2-(4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]acetic acid 

Relevant articles and documents

Synthesis of Unsymmetrical 1,4-Dicarbonyl Compounds by Photocatalytic Oxidative Radical Additions

Herein we report a photocatalytic oxidative radical addition reaction for the synthesis of unsymmetrical 1,4-dicarbonyl compounds. This reaction utilizes a desulfurization process to generate electrophilic radicals, which add to α-halogenated alkenes and undergo further oxidation to deliver 1,4-dicarbonyl compounds. This mild and highly efficient method provides a valuable alternative to known strategies.

COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR

The invention relates to the field of pharmaceutical chemistry. Specifically, the present invention relates to a series of BET (bromodomain and extra-terminal domain) inhibitors having a novel structure, particularly inhibitors targeting BRD4 (Bromodomain-containing protein 4), and a preparation method and use therefor. The structure thereof is shown in the following general formula (I). Said compounds or a stereoisomer, racemate, geometric isomer, tautomer, prodrug, hydrate, solvate, or crystal form thereof, or a pharmaceutically acceptable salt thereof, and the pharmaceutical compsosition thereof can be used for the treatment and/or prevention of related diseases mediated by bromodomain proteins.

Combined Photoredox/Enzymatic C?H Benzylic Hydroxylations

Chemical transformations that install heteroatoms into C?H bonds are of significant interest because they streamline the construction of value-added small molecules. Direct C?H oxyfunctionalization, or the one step conversion of a C?H bond to a C?O bond, could be a highly enabling transformation due to the prevalence of the resulting enantioenriched alcohols in pharmaceuticals and natural products,. Here we report a single-flask photoredox/enzymatic process for direct C?H hydroxylation that proceeds with broad reactivity, chemoselectivity and enantioselectivity. This unified strategy advances general photoredox and enzymatic catalysis synergy and enables chemoenzymatic processes for powerful and selective oxidative transformations.