2-Butyl-2-chlorocyclohexanone

Base Information

• Chemical Name: 2-Butyl-2-chlorocyclohexanone
• CAS No.: 34737-52-5
• Molecular Formula: C10H17 Cl O
• Molecular Weight: 188.697
• NSC Number: 130997
• DSSTox Substance ID: DTXSID60299473,DTXSID80956415
• Wikidata: Q82041905
• Mol file: 34737-52-5.mol

Synonyms:34737-52-5;2-butyl-2-chlorocyclohexanone;2-butyl-2-chlorocyclohexan-1-one;NSC130997;349551-47-9;DTXSID60299473;DTXSID80956415;NSC-130997

Chemical Property of 2-Butyl-2-chlorocyclohexanone

Chemical Property:

• Vapor Pressure: 0.0074mmHg at 25°C
• Boiling Point: 269.1°C at 760 mmHg
• Flash Point: 147.8°C
• PSA: 17.07000
• Density: 1.02g/cm³
• LogP: 3.29730
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.0967929
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(CCCCC1=O)Cl

Technology Process of 2-Butyl-2-chlorocyclohexanone

There total 1 articles about 2-Butyl-2-chlorocyclohexanone 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:

2-butylcyclohexanone (1126-18-7) → 2-Chlor-2-butylcyclohexanon (34737-52-5)

Guidance literature:

With sulfuryl dichloride; In tetrachloromethane;

DOI:10.1021/jo00980a019

Reference yield:

2-Chlor-2-butylcyclohexanon (34737-52-5) → 2-Buthylidenecyclohexanone (7153-14-2)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; Heating;

DOI:10.1021/jo00980a019

Reference yield:

2-Chlor-2-butylcyclohexanon (34737-52-5) → 2-butylcyclohex-2-en-1-one (34737-39-8)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; Heating;

DOI:10.1021/jo00980a019

upstream raw materials:

2-butylcyclohexanone

Downstream raw materials:

2-butylcyclohex-2-en-1-one

2-Buthylidenecyclohexanone