2-Hepten-4-one, (2Z)-

Base Information

• Chemical Name: 2-Hepten-4-one, (2Z)-
• CAS No.: 38397-37-4
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• UNII: 1RS7CN1HHP

Synonyms:cis-Hept-2-en-4-one;1RS7CN1HHP;2-Hepten-4-one, (2Z)-;cis-2-Hepten-4-one;UNII-1RS7CN1HHP;38397-37-4;SCHEMBL6138662;TXVAOITYBBWKMG-HYXAFXHYSA-N

Chemical Property of 2-Hepten-4-one, (2Z)-

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)C=CC
• Isomeric SMILES: CCCC(=O)/C=C\C

Technology Process of 2-Hepten-4-one, (2Z)-

There total 3 articles about 2-Hepten-4-one, (2Z)- 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: 19.0%

hept-3-yne (2586-89-2) → (E)-hept-2-en-4-one (32397-56-1) + n-hexan-3-one (589-38-8) + heptane-3,4-dione (13706-89-3) + hept-2c-en-4-one (38397-37-4) + hept-4c-en-3-one (65113-43-1) + (E)-hept-4-en-3-one (762-40-3,65113-43-1,65113-42-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 6h; Mechanism; Ambient temperature; other solvents and times;

DOI:10.1016/S0040-4039(00)71475-4

Reference yield: 16.0%

4-diazo-3-heptanone → (E)-hept-2-en-4-one (32397-56-1) + n-hexan-3-one (589-38-8) + hept-2c-en-4-one (38397-37-4) + hept-4c-en-3-one (65113-43-1) + (E)-hept-4-en-3-one (762-40-3,65113-43-1,65113-42-0)

Guidance literature:

In diethyl ether; Mechanism; Irradiation; other solvent;

DOI:10.1016/S0040-4039(00)71475-4

Reference yield: 15.0%

4-diazo-3-heptanone → n-hexan-3-one (589-38-8) + hept-2c-en-4-one (38397-37-4) + hept-4c-en-3-one (65113-43-1) + (E)-hept-4-en-3-one (762-40-3,65113-43-1,65113-42-0)

Guidance literature:

In diethyl ether; Further byproducts given. Title compound not separated from byproducts; Irradiation;

DOI:10.1016/S0040-4039(00)71475-4

upstream raw materials:

hept-3-yne

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