Hept-2-en-4-one

Base Information

• Chemical Name: Hept-2-en-4-one
• CAS No.: 4643-25-8
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• European Community (EC) Number: 225-070-1
• Mol file: 4643-25-8.mol

Synonyms:hept-2-en-4-one;propenyl propyl ketone

Chemical Property of Hept-2-en-4-one

Chemical Property:

• Vapor Pressure: 2.7mmHg at 25°C
• Boiling Point: 157.8°C at 760 mmHg
• Flash Point: 52.2°C
• PSA: 17.07000
• Density: 0.832g/cm³
• LogP: 1.93170
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 92.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C=CC
• Description: May be synthesized from 4-heptanone by a catalytic process.

Technology Process of Hept-2-en-4-one

There total 11 articles about Hept-2-en-4-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

hept-1-en-4-one (22769-84-2) → hept-2-en-4-one (4643-25-8)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; polydimethylsiloxane; In methanol; water; at 100 ℃; for 2h;

DOI:10.1016/j.jorganchem.2006.09.022

Reference yield: 41.0%

4-Octyne (1942-45-6) → octane-4,5-dione (5455-24-3) + hept-2-en-4-one (4643-25-8) + butanoic acid methyl ester (623-42-7)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In methanol; for 48h;

DOI:10.1021/jo00129a010

Reference yield: 17.0%

methanol (67-56-1) + 4-Octyne (1942-45-6) → octane-4,5-dione (5455-24-3) + hept-2-en-4-one (4643-25-8) + butanoic acid methyl ester (623-42-7)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); for 48h;

DOI:10.1021/jo00129a010

upstream raw materials:

hept-1-en-4-one

2-hydroxy-heptan-4-one

oxalic acid

hept-3-yne