4643-25-8

Basic information

• Product Name: 2 HEPTEN 4 ONE
• Synonyms: 2 HEPTEN 4 ONE;hept-2-en-4-one
• CAS NO: 4643-25-8
• Molecular Formula: C₇H₁₂O
• Molecular Weight: 112.17
• EINECS: 225-070-1
• Mol File: 4643-25-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 157.8°C at 760 mmHg
• Flash Point: 52.2°C
• Appearance: /
• Density: 0.832g/cm³
• Vapor Pressure: 2.7mmHg at 25°C
• Refractive Index: 1.426
• CAS DataBase Reference: 2 HEPTEN 4 ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2 HEPTEN 4 ONE(4643-25-8)
• EPA Substance Registry System: 2 HEPTEN 4 ONE(4643-25-8)

Safety Data

• Hazardous Substances Data: 4643-25-8(Hazardous Substances Data)

Usage

Description

May be synthesized from 4-heptanone by a catalytic process.

Occurrence

Reported found in roasted flberts, raw peas, raw and cooked asparagus and beer

Preparation

From 4-heptanone by a catalytic process.

InChI:InChI=1/C7H12O/c1-3-5-7(8)6-4-2/h3,5H,4,6H2,1-2H3

Upstream product

• 22769-84-2 hept-1-en-4-one 
• 54862-92-9 2-hydroxy-heptan-4-one 
• 144-62-7 oxalic acid 
• 2586-89-2 hept-3-yne 
• 67-56-1 methanol 
• 1942-45-6 4-Octyne 
• 592-77-8 hept-2-ene 
• 6135-08-6 1-(dimethylamino)hex-1-en-3-one 

Relevant articles and documents

New selectivities from old catalysts. Occlusion of Grubbs' catalysts in PDMS to change their reactions

This article describes new selectivities for Grubbs' first and second generation catalysts when occluded in a hydrophobic matrix of polydimethylsiloxane (PDMS). Occlusion of catalysts in mm-sized slabs of PDMS is accomplished by swelling with methylene chloride then removing the solvent under vacuum. The catalysts are homogenously dissolved in PDMS yet remain catalytically active. Many substrates that react by olefin metathesis with Grubbs' catalysts freely dissolved in methylene chloride also react by olefin isomerization with occluded catalysts. Eleven examples of substrates that exhibit dual reactivity by undergoing olefin isomerization with occluded catalysts and olefin metathesis with catalysts dissolved in methylene chloride are reported. Most of these substrates have olefins with allylic phosphine oxides, carbonyls, or ethers. Control experiments demonstrate that isomerization is occurring in the solvent by decomposition of the catalyst from a ruthenium carbene to a proposed ruthenium hydride. This work was extended by heating occluded Grubbs' first generation catalyst to 100 °C in 90% MeOH in H2O in the presence of various alkenes to transform the Grubbs' catalyst into an isomerization catalyst for unfunctionalized olefins. This work demonstrates that occlusion of organometallic catalysts in PDMS has important implications for their reactions and can be used as a method to control which reactions they catalyze.

Oxidation of Alkynes by Hydrogen Peroxide Catalyzed by Methylrhenium Trioxide

The oxidation of alkynes with hydrogen peroxide is catalyzed by methylrhenium tioxide.The reactions can be rationalized by postulating that an oxirene intermediate is formed between a rhenium peroxide and the alkyne.Internal alkynes yield α-diketones and carboxylic acids, the latter from the complete cleavage of the triple bonds.Rearrangement products were observed only for aliphatic alkynes.Terminal alkynes gave carboxylic acids and their derivatives and α-keto acids as the major products, but their yields varied with the solvent used.