2,2-Dimethylcycloheptanone

Base Information

• Chemical Name: 2,2-Dimethylcycloheptanone
• CAS No.: 7228-52-6
• Molecular Formula: C12H14N4O2S
• Molecular Weight: 140.225
• European Community (EC) Number: 852-508-4

Synonyms:2,2-dimethylcycloheptanone;7228-52-6;2,2-DIMETHYLCYCLOHEPTAN-1-ONE;2.2-Dimethylcycloheptanon;SCHEMBL2691988;UJALODPLYNRSNS-UHFFFAOYSA-N;AKOS023656622;EN300-325785

Chemical Property of 2,2-Dimethylcycloheptanone

Chemical Property:

• Boiling Point: 485.1°Cat760mmHg
• Flash Point: 247.2°C
• PSA: 160.85000
• Density: 1.43g/cm³
• LogP: 2.78838
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCCCCC1=O)C

Technology Process of 2,2-Dimethylcycloheptanone

There total 6 articles about 2,2-Dimethylcycloheptanone 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: 61.0%

1-(1-Methyl-1-methylselanyl-ethyl)-cyclohexanol (82126-49-6) → 1-Isopropenyl-1-cyclohexanol (3908-31-4) + 2,2-dimethylcycloheptanone (7228-52-6)

Guidance literature:

With potassium hydroxide; chloroform; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(01)81039-X

Reference yield: 14.0%

2-(1-hydroxycyclohexyl)propan-2-ol (1124-96-5) → 2,2-dimethylcycloheptanone (7228-52-6) + methyl 1-methylcyclohexyl ketone (2890-62-2) + 2-oxo-4,4-(pentamethylene)-5,5-dimethyl-1,3-dioxolane (91328-31-3)

Guidance literature:

With isocyanate de chlorosulfonyle; In benzene; 1.) 0 deg C, 2.) reflux, 0.5 h;

Reference yield: 14.0%

isocyanate de chlorosulfonyle (1189-71-5) + 2-(1-hydroxycyclohexyl)propan-2-ol (1124-96-5) → 2,2-dimethylcycloheptanone (7228-52-6) + methyl 1-methylcyclohexyl ketone (2890-62-2) + 2-oxo-4,4-(pentamethylene)-5,5-dimethyl-1,3-dioxolane (91328-31-3)

Guidance literature:

In benzene; 1.) 0 deg C, 2.) reflux, 0.5 h;

upstream raw materials:

isocyanate de chlorosulfonyle

2-(1-hydroxycyclohexyl)propan-2-ol

chloroform

1-(1-Methyl-1-methylselanyl-ethyl)-cyclohexanol

Downstream raw materials:

1-methyl-1-cyclohexancarboxylic acid chloride

N-((7,7-dimethylcyclohept-1-enyl)methyl)-3-fluoro-N-methylaniline hydrochloride

N-((7,7-dimethylcyclohept-1-enyl)methyl)-3-fluoro-N-methylaniline

N-((7,7-dimethylcyclohept-1-enyl)methyl)-3-fluoroaniline hydrochloride

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