2-Hepten-4-one

Base Information

• Chemical Name: 2-Hepten-4-one
• CAS No.: 32397-56-1
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• Hs Code.: 2914190090
• European Community (EC) Number: 225-070-1
• UNII: RSJ7CM9MIK
• DSSTox Substance ID: DTXSID8063541,DTXSID20885533
• Nikkaji Number: J297.861J,J422.276H
• Wikidata: Q27288266
• Metabolomics Workbench ID: 44906
• Mol file: 32397-56-1.mol

Synonyms:2-HEPTEN-4-ONE;(E)-2-Hepten-4-one;32397-56-1;FEMA No. 3399;2-Hepten-4-one, (2E)-;4643-25-8;2Hepten4one;2-Hepten-4-one, (E)-;RSJ7CM9MIK;UNII-RSJ7CM9MIK;EINECS 225-070-1;hept-2-en-4-one;propenyl propyl ketone;(E)-hept-2-en-4-one;5-heptadien-4-one;(2E)-2-hepten-4-one;5-HEPTEN-4-ONE;(2E)-hept-2-en-4-one;SCHEMBL531303;1-PROPENYL PROPYL KETONE;DTXSID8063541;FEMA 3399;DTXSID20885533;2-HEPTEN-4-ONE [FHFI];TXVAOITYBBWKMG-HWKANZROSA-N;AKOS006292899;Q27288266

Chemical Property of 2-Hepten-4-one

Chemical Property:

• Boiling Point: 157.8°Cat760mmHg
• 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
• Isomeric SMILES: CCCC(=O)/C=C/C

Technology Process of 2-Hepten-4-one

There total 7 articles about 2-Hepten-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: 19.0%

hept-3-yne (2586-89-2) → (E)-hept-2-en-4-one (32397-56-1) + n-hexan-3-one (589-38-8) + 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; Further byproducts given. Title compound not separated from byproducts; Ambient temperature;

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

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: 19.0%

hept-3-yne (2586-89-2) → (E)-hept-2-en-4-one (32397-56-1) + heptane-3,4-dione (13706-89-3) + 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; Further byproducts given. Title compound not separated from byproducts; Ambient temperature;

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

upstream raw materials:

acetaldehyde

2-Pentanone

(E)-4-(trimethylsilyl)-3,4-epoxyheptane

hept-3-yne

Downstream raw materials:

hept-2t-en-4-one-(2,4-dinitro-phenylhydrazone)

cis-5-n-butyl-4-methyl-4,5-dihydro-2(3H)-furanone

2-phenylheptan-4-one

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