54951-59-6

Basic information

• Product Name: 3-(phenylmethylene)octan-2-one
• Synonyms: 3-(phenylmethylene)octan-2-one;3-(Phenylmethylene)-2-octanone
• CAS NO: 54951-59-6
• Molecular Formula: C₁₅H₂₀O
• Molecular Weight: 216.3187
• EINECS: 259-410-5
• Mol File: 54951-59-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 333.9°C at 760 mmHg
• Flash Point: 125.2°C
• Appearance: /
• Density: 0.955g/cm³
• Vapor Pressure: 0.000133mmHg at 25°C
• Refractive Index: 1.528
• CAS DataBase Reference: 3-(phenylmethylene)octan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(phenylmethylene)octan-2-one(54951-59-6)
• EPA Substance Registry System: 3-(phenylmethylene)octan-2-one(54951-59-6)

Safety Data

• Hazardous Substances Data: 54951-59-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H20O/c1-3-4-6-11-15(13(2)16)12-14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3/b15-12-

Upstream product

• 109-72-8 n-butyllithium 
• 94348-75-1 4-acetoxy-3-methylene-4-phenylbutan-2-one 
• 78605-96-6 jasminaldehyde 
• 100-52-7 benzaldehyde 
• 111-13-7 hexyl-methyl-ketone 

Downstream Products

• 109619-81-0 2-pentyl-3t-phenyl-acrylic acid 
• 1229231-24-6 (R)-(+)-3-pentyl-4-phenyl-but-3-en-2-ol 

Relevant articles and documents

Nucleophilic Organic Base DABCO-Mediated Chemospecific Meinwald Rearrangement of Terminal Epoxides into Methyl Ketones

Nucleophilic organic base DABCO (1,4-diazabicyclo[2.2.2]octane)-mediated Meinwald rearrangement of various epoxides was investigated. 2-Aryl-, alkenyl-, and alkynylepoxides generate the corresponding methyl ketones chemospecifically in good to excellent yields. The current DABCO-mediated Meinwald rearrangement of epoxides features readily accessible starting materials, a wide substrate scope, a transition-metal- and acid-free environment, and chemospecificity in the isomerization of epoxides.

Organic Compounds

Disclosed are compounds having the ability to inhibit cytochrome P450 2A6, 2A13, and/or 2B6 and tobacco products comprising them. Also disclosed are pharmaceutical compositions comprising them.

Stereospecific synthesis of methyl vinyl ketones

A stereospecific synthesis of enones 3 by coupling reaction of α-acetoxy alkyl methyl vinyl ketones 2 and Gilman or Grignard reagents in the presence of a catalytic amount of copper(I) salt at low temperature, is described.