22872-40-8

Basic information

• Product Name: 2-Methyl-3-oxo-2-phenylbutanenitrile
• Synonyms: 2-Methyl-3-oxo-2-phenylbutanenitrile
• CAS NO: 22872-40-8
• Molecular Formula: C₁₁H₁₁NO
• Molecular Weight: 173.21114
• Mol File: 22872-40-8.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Methyl-3-oxo-2-phenylbutanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-3-oxo-2-phenylbutanenitrile(22872-40-8)
• EPA Substance Registry System: 2-Methyl-3-oxo-2-phenylbutanenitrile(22872-40-8)

Safety Data

• Hazardous Substances Data: 22872-40-8(Hazardous Substances Data)

Upstream product

• 4468-48-8 1-phenyl-1-cyanopropan-2-one 
• 74-88-4 methyl iodide 
• 52923-47-4 (Z)-1-Cyano-1-phenyl-propen-2-ol anion 
• 80-48-8 methyl p-toluene sulfonate 
• 77-78-1 dimethyl sulfate 
• 75-36-5 acetyl chloride 
• 164594-13-2 Phenyl[2-(trimethylsilyl)phenyl]iodonium trifluoromethanesulfonate 
• 107-12-0 propiononitrile 

Downstream Products

• 104367-49-9 2-methyl-2-phenylpent-4-enenitrile 

Relevant articles and documents

Facile one-pot synthesis of 2-aryl-substituted nitriles and 2-aryl-3-keto nitriles via benzyne reaction

2-Aryl-substituted nitriles were prepared in good to excellent yields in a one-pot reaction by the reaction of benzyne, generated using neutral conditions from (phenyl)[o-(trimethylsilyl)-phenyl]iodonium triflate, and 2-lithionitriles. 3-Keto nitriles substituted at the 2-position were obtained in good yields when these reactions were trapped with acid chlorides. The mechanism of the benzyne reaction in terms of a N-lithiobenzocyclobutanimine intermediate is discussed. Copyright Taylor & Francis Group, LLC.

The Allopolarization Principle and its Applications, IV. Substituent Effects in the Methylation of Enolate Anions

The ratio of O- and C-methylated products in the reaction of the sodium salts of acetophenones 1, propiophenones 3, phenylacetones 5, β-dicarbonyl compounds 12, α-cyanocarbonyl compounds 13, acetaldehyde, propionaldehyde, and diethylketone with dimethyl sulfate, methyl iodide, and trimethyl phosphate in HMPTA has been determined with regard to the effect of substituents.In some cases the influence of solvents, concentration and temperature has also been studied.