58518-86-8

Basic information

• Product Name: 4-nitro-1-phenylbutan-1-one
• CAS NO: 58518-86-8
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.1992
• Mol File: 58518-86-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 344.6°C at 760 mmHg
• Flash Point: 166.7°C
• Density: 1.158g/cm³
• Vapor Pressure: 6.53E-05mmHg at 25°C
• Refractive Index: 1.53
• CAS DataBase Reference: 4-nitro-1-phenylbutan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-nitro-1-phenylbutan-1-one(58518-86-8)
• EPA Substance Registry System: 4-nitro-1-phenylbutan-1-one(58518-86-8)

Safety Data

• Hazardous Substances Data: 58518-86-8(Hazardous Substances Data)

Upstream product

• 75-52-5 nitromethane 
• 768-03-6 Phenyl vinyl ketone 
• 78579-86-9 1-nitro-4-phenylbutane 
• 3638-64-0 1-nitroethylene 
• 98-86-2 acetophenone 
• 936-59-4 3-chloropropiophenone 
• 3506-36-3 3-dimethylaminopropiophenone 

Downstream Products

• 1006-64-0 2-(phenyl)pyrrolidine 
• 111138-02-4 (-)-(S)-5-phenyl-4,5-dihydrofuran-2(3H)-one 
• 181135-92-2 (R)-(+)-4-nitro-1-phenyl-1-butanol 
• 167642-19-5 (S)-(-)-4-nitro-1-phenyl-1-butanol 

Relevant articles and documents

Direct and selective benzylic oxidation of alkylarenes via C-H abstraction using alkali metal bromides

A direct benzylic oxidation of alkylarenes via C-H bond abstraction was developed using alkali metal bromides and oxidants under mild conditions. This reaction proceeded with excellent selectivity by thermal oxidation or photooxidation to provide a broad range of carbonyl compounds containing electron-deficient aryl carbonyl compounds in high yields.

Alkylation of ketone and ester lithium enolates with nitroethylene

Nitroethylene is a '+CH2CH2NH2' and '+CH2CHO' synthon which has not been widely used in conjugate addition reactions, due in part to its reputation for facile anionic polymerization. In the present report, we describe the first systematic study of the scope and limitations of the conjugate addition of ketone and ester enolates to nitroethylene. Synthetically useful yields are obtained for ketone and ester enolates of a variety of structural types.