123732-13-8

Basic information

• Product Name: Benzonitrile, 4-(3-oxo-1-cyclohexen-1-yl)-
• CAS NO: 123732-13-8
• Molecular Formula: C13H11NO
• Molecular Weight: 197.236
• Mol File: 123732-13-8.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Benzonitrile, 4-(3-oxo-1-cyclohexen-1-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-(3-oxo-1-cyclohexen-1-yl)-(123732-13-8)
• EPA Substance Registry System: Benzonitrile, 4-(3-oxo-1-cyclohexen-1-yl)-(123732-13-8)

Safety Data

• Hazardous Substances Data: 123732-13-8(Hazardous Substances Data)

Upstream product

• 109-72-8 n-butyllithium 
• 623-00-7 4-bromobenzenecarbonitrile 
• 5323-87-5 3-Ethoxycyclohex-2-en-1-one 
• 412044-48-5 (4-cyanophenyl)magnesium bromide 
• 56671-82-0 3-Iodocyclohex-2-enone 
• 930-68-7 cyclohexenone 
• 126747-14-6 4-cyanophenylboronic acid 
• 131379-14-1 4-cyanophenylzinc bromide 

Downstream Products

• 486455-27-0 3'-hydroxybiphenyl-4-carbonitrile 
• 1453494-28-4 C₁₃H₁₂N₂O 
• 149505-72-6 3'-aminobiphenyl-4-carbonitrile 
• 537708-80-8 3-tert-butyl-5-(4-cyanophenyl)-5-phenylcyclohex-2-enone 
• 537708-78-4 5-(4-cyanophenyl)-5-phenylcyclohex-2-enone 
• 537708-77-3 3-(4-cyanophenyl)-3-phenylcyclohexanone 

Relevant articles and documents

A highly efficient metal-free approach to: Meta - And multiple-substituted phenols via a simple oxidation of cyclohexenones

A novel and efficient metal-free approach to substituted phenols has been disclosed from simple and readily available cyclohexenones and cyclohexenone equivalents. Dimethyl sulfoxide (DMSO), a simple and common organic reagent, was employed as a mild oxidant in this I2-catalysis, which significantly tolerates various substituents including some easily oxidizable or reducible functionalities. The challenging meta- and multiple-substituted phenols could be well prepared by this method. The metal-free and mild oxidation make this protocol very simple, practical, and easy to handle.

Functionalized alkenylzinc reagents bearing carbonyl groups: Preparation by direct metal insertion and reaction with electrophiles

Highly functionalized cyclic and acyclic alkenylzinc reagents bearing functional groups such as aldehyde, keto, and ester groups were readily prepared by either direct zinc insertion in the presence of LiCl or by magnesium insertion in the presence of LiC

Addition reaction of arylboronic acids to aldehydes and α,β-unsaturated carbonyl compounds catalyzed by conventional palladium complexes in the presence of chloroform

Arylboronic acids react with aldehydes and α,β-unsaturated carbonyl compounds in the presence of a base and a catalytic amount of a palladium(0) complex with chloroform, affording the corresponding addition products in good yields, and chiral benzhydrol was obtained with up to 43% e.e. using (S,S)-bppm as a ligand. General palladium complexes have no catalytic activity without chloroform. Because chloroform is essential for this reaction, these reactions would be promoted by dichloromethylpalladium(II) species.