6938-44-9

Basic information

• Product Name: Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester
• Synonyms: Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester
• CAS NO: 6938-44-9
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 0
• Mol File: 6938-44-9.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 557.2°C at 760 mmHg
• Flash Point: 290.8°C
• Appearance: /
• Density: 1.62g/cm³
• Vapor Pressure: 1.89E-12mmHg at 25°C
• Refractive Index: 1.645
• CAS DataBase Reference: Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester(6938-44-9)
• EPA Substance Registry System: Benzenebutanoic acid, .alpha.-methyl-.gamma.-oxo-, ethyl ester(6938-44-9)

Safety Data

• Hazardous Substances Data: 6938-44-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C20H12Br2N2O4/c21-15-5-1-13(2-6-15)19(25)27-23-17-9-11-18(12-10-17)24-28-20(26)14-3-7-16(22)8-4-14/h1-12H/b23-17-,24-18-

Upstream product

• 14308-32-8 2,2-diethoxy-3-methyl-5-phenyl-2,3-dihydro-furan 
• 113777-08-5 1-Ethoxy-2-methyl-1-(trimethylsilyloxy)cyclopropan 
• 98-88-4 benzoyl chloride 
• 115205-49-7 (Z)-2-Methyl-4-phenyl-4-phenylsulfanyl-but-3-enoic acid ethyl ester 
• 17851-55-7 2-(2-ethoxycarbonylethyl)-2-phenyl-1,3-dioxolane 
• 74-88-4 methyl iodide 
• 13735-81-4 1-styrenyloxytrimethylsilane 
• 535-11-5 Ethyl 2-bromopropionate 
• 94-02-0 ethyl 3-oxo-3-phenylpropionate 
• 78386-38-6 1-tert-butoxy-1-phenylethene 
• 31253-08-4 ethyl 2-iodopropionate 
• 28143-79-5 1-phenyl vinyl triflate 
• 64-17-5 ethanol 
• 1771-65-9 2-methyl-4-oxo-4-phenylbutanoic acid 

Downstream Products

• 136343-95-8 (Z)-4-Chloro-3-formyl-2-methyl-4-phenyl-but-3-enoic acid ethyl ester 
• 84143-18-0 (S)-2-Methyl-4-oxo-4-phenylbutanoic acid 
• 130856-89-2 (3S,5S)-3-methyl-5-phenyl-4,5-dihydrofuran-2(3H)-one 
• 84143-17-9 (R)-2-methyl-4-oxo-4-phenylbutanoic acid 
• 139620-69-2 4-Hydroxyimino-2-methyl-4-phenylbutyric acid ethyl ester 

Relevant articles and documents

Copper-Catalyzed Alkylation of Silyl Enol Ethers with Sterically Hindered α-Bromocarbonyls: Access to the Histamine H3Receptor Antagonist

A general and efficient copper-catalyzed alkylation of silyl enol ethers with functionalized alkyl bromides has been developed for the synthesis of the sterically hindered γ-ketoesters. The transformation was induced through C(sp3)-halogen activation of commercially available sterically hindered alkyl bromides under mild conditions in good results. The strategy could be used for the synthesis of biologically active histamine H3 receptor (H3R) antagonist for medicinal purposes.

Selective photoredox decarboxylation of α-ketoacids to allylic ketones and 1,4-dicarbonyl compounds dependent on cobaloxime catalysis

A photoredox/cobaloxime co-catalyzed coupling reaction of α-ketoacids and methacrylates to obtain allylic ketones is described. Without the cobaloxime catalyst, 1,4-dicarbonyl compounds are generated. The cobaloxime catalyst enables dehydrogenation to generate the formation of new olefins. The generality, good substrate scope and mild conditions are good features in the photoredox/cobaloxime catalysis protocol, and this method will provide new opportunities for the functionalization of more olefins.

Acyl radicals from α-keto acids using a carbonyl photocatalyst: Photoredox-catalyzed synthesis of ketones

Acyl radicals have been generated from α-keto acids using inexpensive and commercially available 2-chloro-thioxanthen-9-one as the photoredox catalyst under visible light illumination. These reactive species added to olefins or coupled with aryl halides via a bipyridylstabilized Ni(II) catalyst, enabling easy access to a diverse range of ketones. This reliable, atom-economical, and eco-friendly protocol is compatible with a wide range of functional groups.