2-[4-(Acetyloxy)butyl]cyclohexanone

Base Information

• Chemical Name: 2-[4-(Acetyloxy)butyl]cyclohexanone
• CAS No.: 4753-60-0
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.289
• DSSTox Substance ID: DTXSID501292805
• Mol file: 4753-60-0.mol

Synonyms:2-[4-(Acetyloxy)butyl]cyclohexanone;4753-60-0;DTXSID501292805

Chemical Property of 2-[4-(Acetyloxy)butyl]cyclohexanone

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCCCCC1CCCCC1=O

Technology Process of 2-[4-(Acetyloxy)butyl]cyclohexanone

There total 2 articles about 2-[4-(Acetyloxy)butyl]cyclohexanone 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:

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + 4-Bromobutyl acetate (4753-59-7) → 2-(4-acetoxybutyl)cyclohexanone (4753-60-0)

Guidance literature:

In toluene; Heating;

DOI:10.1021/jo01269a067

Reference yield:

→ 2-(4-acetoxybutyl)cyclohexanone (4753-60-0)

Guidance literature:

Cyclohexanon-pyrrolidinenamin, 4-Brombutylacetat;

DOI:10.1016/S0040-4039(01)89130-9

Reference yield: 99.0%

2-(4-acetoxybutyl)cyclohexanone (4753-60-0) + trimethyl orthoformate (149-73-5) → 1,1-dimethoxy-2-(4-acetoxybutyl)cyclohexane (155785-25-4)

Guidance literature:

With K-10 Montmorillonite clay; In hexane; for 1h;

DOI:10.1021/jo00088a019

upstream raw materials:

1-(1-Cyclohexen-1-yl)pyrrolidine

4-Bromobutyl acetate

Downstream raw materials:

1,1-dimethoxy-2-(4-acetoxybutyl)cyclohexane

2-(4-hydroxybutyl)cyclohexanone

1-Oxo-2-(4-oxobutyl)-cyclohexan