51765-77-6

Basic information

• Product Name: 4-(4-BROMOPHENYL)-4-OXOBUTYRONITRILE
• Synonyms: 4-(4-BROMOPHENYL)-4-OXOBUTYRONITRILE;4-(4-BROMOPHENYL)-4-OXOBUTANENITRILE;SALOR-INT L481971-1EA
• CAS NO: 51765-77-6
• Molecular Formula: C₁₀H₈BrNO
• Molecular Weight: 238.08
• Mol File: 51765-77-6.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 395.3°C at 760 mmHg
• Flash Point: 192.9°C
• Appearance: /
• Density: 1.455g/cm³
• Vapor Pressure: 1.85E-06mmHg at 25°C
• Refractive Index: 1.563
• CAS DataBase Reference: 4-(4-BROMOPHENYL)-4-OXOBUTYRONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-BROMOPHENYL)-4-OXOBUTYRONITRILE(51765-77-6)
• EPA Substance Registry System: 4-(4-BROMOPHENYL)-4-OXOBUTYRONITRILE(51765-77-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 51765-77-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H8BrNO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2H2

Upstream product

• 151-50-8 potassium cyanide 
• 107-13-1 acrylonitrile 
• 1122-91-4 4-bromo-benzaldehyde 
• 2039-82-9 1-bromo-4-ethenyl-benzene 
• 75-05-8 acetonitrile 
• 773837-37-9 sodium cyanide 
• 31736-73-9 4-bromophenyl 2-chloroethyl ketone 
• 105-56-6 ethyl 2-cyanoacetate 
• 109240-30-4 1-(4-bromophenyl)cyclopropan-1-ol 
• 172876-96-9 3-oxo-1λ³-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile 
• 624-75-9 iodoacetonitrile 
• 28131-17-1 2-(4-bromophenyl)acrylic acid 
• 41841-16-1 (4-bromo-phenyl)-acetic acid methyl ester 
• 307930-87-6 S-(2-pyridyl) 4-bromothiobenzoate 

Downstream Products

• 6340-79-0 4-oxo-4-(4-bromophenyl)butanoic acid 
• 1038270-20-0 4-(4-bromophenyl)-4,4-difluorobutanoic acid 
• 1454928-27-8 4-(4-bromophenyl)-4,4-difluorobutanenitrile 

Relevant articles and documents

A Photochemical Organocatalytic Strategy for the α-Alkylation of Ketones by using Radicals

Reported herein is a visible-light-mediated radical approach to the α-alkylation of ketones. This method exploits the ability of a nucleophilic organocatalyst to generate radicals upon SN2-based activation of alkyl halides and blue light irradiation. The resulting open-shell intermediates are then intercepted by weakly nucleophilic silyl enol ethers, which would be unable to directly attack the alkyl halides through a traditional two-electron path. The mild reaction conditions allowed functionalization of the α position of ketones with functional groups that are not compatible with classical anionic strategies. In addition, the redox-neutral nature of this process makes it compatible with a cinchona-based primary amine catalyst, which was used to develop a rare example of enantioselective organocatalytic radical α-alkylation of ketones.

Facile Synthesis of γ-Ketonitriles in Water via C(sp2)–H Activation of Aromatic Aldehydes over Cu?g-C3N4 under Visible-Light

A facile C(sp2)–H activation of aldehyde under visible-light conditions using Cu?g-C3N4 as photocatalyst and water as solvent is reported. The envisaged method involves photocatalytic intermolecular Stetter reaction using

Copper-Catalyzed Decarboxylative Oxyalkylation of Alkynyl Carboxylic Acids: Synthesis of ?-Diketones and ?-Ketonitriles

A novel copper-catalyzed decarboxylative oxyalkylation of alkynyl carboxylic acids with ketones and alkylnitriles via direct C(sp3)-H bond functionalization to construct new C-C bonds and C-O double bonds was developed. This transformation is featured by wide functional group compatibility and the use of readily available reagents, thus affording a general approach to ?-diketones and ?-ketonitriles. A possible mechanism is proposed.