3-Pentanoylcyclohexan-1-one

Base Information

• Chemical Name: 3-Pentanoylcyclohexan-1-one
• CAS No.: 25234-78-0
• Molecular Formula: C11H18O2
• Molecular Weight: 182.263
• DSSTox Substance ID: DTXSID30541411
• Mol file: 25234-78-0.mol

Synonyms:3-PENTANOYLCYCLOHEXAN-1-ONE;25234-78-0;3-pentanoylcyclohexanone;3-pentanoyl-cyclohexan-1-one;DTXSID30541411;AKOS015907340

Chemical Property of 3-Pentanoylcyclohexan-1-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C1CCCC(=O)C1

Technology Process of 3-Pentanoylcyclohexan-1-one

There total 4 articles about 3-Pentanoylcyclohexan-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: 86.0%

cyclohexenone (930-68-7) + carbon monoxide (201230-82-2) → 3-pentanoylcyclohexanone (25234-78-0)

Guidance literature:

In tetrahydrofuran; diethyl ether; pentane; at -110 ℃; for 1.5h;

DOI:10.1021/ja00301a033

Reference yield: 37.0%

cyclohexenone (930-68-7) + pentanal (110-62-3) → 3-pentanoylcyclohexanone (25234-78-0)

Guidance literature:

With 4-cyanobenzaldehyde; In Petroleum ether; at 20 ℃; for 16h; Sealed tube; Irradiation;

DOI:10.1002/cssc.201901725

Reference yield:

cyclohexenone (930-68-7) + 1-iodo-butane (542-69-8) → 3-pentanoylcyclohexanone (25234-78-0)

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/ja00457a075

upstream raw materials:

cyclohexenone

1-iodo-butane

carbon monoxide

n-butyllithium