5-Cyclohexadecen-1-one

Base Information

• Chemical Name: 5-Cyclohexadecen-1-one
• CAS No.: 37609-25-9
• Molecular Formula: C₁₆H₂₈O
• Molecular Weight: 236.398
• Hs Code.: 2914299000
• European Community (EC) Number: 253-568-9
• UNII: O8H24QLZ5Y
• Nikkaji Number: J208.221G
• Wikipedia: 5-Cyclohexadecenone
• Wikidata: Q27285484
• Mol file: 37609-25-9.mol

Synonyms:5-cyclohexadecen-1-one

Chemical Property of 5-Cyclohexadecen-1-one

Chemical Property:

• Vapor Pressure: 0.02Pa at 20℃
• Melting Point: 25 °C
• Boiling Point: 354.6 °C at 760 mmHg
• Flash Point: 149.6 °C
• PSA: 17.07000
• Density: 0.863 g/cm³
• LogP: 5.19660
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 236.214015512
• Heavy Atom Count: 17
• Complexity: 218

Purity/Quality:

99.9% ^*data from raw suppliers

5-Cyclohexadecen-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(=O)CCCC=CCCCC1
• Isomeric SMILES: C1CCCCCC(=O)CCC/C=C\CCCC1

Technology Process of 5-Cyclohexadecen-1-one

There total 5 articles about 5-Cyclohexadecen-1-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: 91.0%

5-cyclohexadecenol → cyclohexadec-5-en-1-one (21944-95-6,35951-24-7,37609-25-9) + 5,6-epoxycyclohexadecanone (253309-55-6)

Guidance literature:

With dihydrogen peroxide; methyl tri-n-octyl ammonium hydrogen sulfate; sodium tungstate; In water; toluene; at 110 ℃; for 10.5h;

DOI:10.1246/bcsj.72.2287

Reference yield: 0.4%

5-cyclohexadecenol → cyclohexadec-5-en-1-one (21944-95-6,35951-24-7,37609-25-9) + 11,12-epoxydodecan-2-one (27372-04-9)

Guidance literature:

With sodium tungstate; dihydrogen peroxide; In water; toluene; at 90 ℃; for 3h;

DOI:10.1021/ja973412p

Reference yield:

(E)-2-cyclotridecen-1-one (145663-90-7) → cyclohexadec-5-en-1-one (21944-95-6,35951-24-7,37609-25-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CuI / diethyl ether / -78 °C

2: 64 percent Turnov_. / 620 °C / 0.02 - 0.03 Torr / Pyrolysis

With copper(l) iodide; In diethyl ether;

DOI:10.1016/j.tetlet.2004.04.148

upstream raw materials:

(E)-2-cyclotridecen-1-one

Downstream raw materials:

cyclohexadecanol

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