2-(1-Methylethylidene)cyclohexanone

Base Information

• Chemical Name: 2-(1-Methylethylidene)cyclohexanone
• CAS No.: 13747-73-4
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID40160197
• Nikkaji Number: J113.877D
• Wikidata: Q72485908
• Mol file: 13747-73-4.mol

Synonyms:13747-73-4;Cyclohexanone, 2-(1-methylethylidene)-;2-propan-2-ylidenecyclohexan-1-one;2-(1-METHYLETHYLIDENE)CYCLOHEXANONE;Cyclohexanone, 2-isopropylidene-;2-Isopropylidenecyclohexanone;isopropylidenecyclohexanone;SCHEMBL7177738;DTXSID40160197;AKOS015907383;2-(1-Methylethylidene)cyclohexanone #

Chemical Property of 2-(1-Methylethylidene)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Refractive Index: 1.4922 (589.3 nm)
• Boiling Point: 218.7°Cat760mmHg
• Flash Point: 84.4°C
• PSA: 17.07000
• Density: 0.954g/cm³
• LogP: 2.46590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 173

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1CCCCC1=O)C

Technology Process of 2-(1-Methylethylidene)cyclohexanone

There total 22 articles about 2-(1-Methylethylidene)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: 92.0%

2-(1'-hydroxy-1-methylethyl)cyclohexanone (3304-23-2) → 2-isopropylidenecyclohexan-1-one (13747-73-4)

Guidance literature:

With cerium(III) chloride; sodium iodide; In acetonitrile; for 1.5h; Heating;

DOI:10.1021/jo026418s

Reference yield: 80.0%

2-(1-Methyl-1-methylselanyl-ethyl)-cyclohexanone (94417-55-7) → 2-isopropylidenecyclohexan-1-one (13747-73-4)

Guidance literature:

With tert.-butylhydroperoxide; aluminum oxide; In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1016/S0040-4039(01)81460-X

Reference yield: 45.0%

2-(1-Methyl-1-methylselanyl-ethyl)-cyclohexanone (94417-55-7) → 2-isopropylidenecyclohexan-1-one (13747-73-4) + 2-(1-methylethenyl)cyclohexanone (58070-37-4) + 7-Isopropenyl-oxepan-2-one (94417-64-8)

Guidance literature:

With dihydrogen peroxide; In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(01)81460-X

upstream raw materials:

2-(1,4-dioxa-spiro[4.5]dec-6-yl)-propan-2-ol

2-isopropenylcyclohexanone ethylene ketal

2-(1'-hydroxy-1-methylethyl)cyclohexanone

2,2-dimethyl-cycloheptanone oxime

Downstream raw materials:

2-isopropenyl-2-methyl-cyclohexanone

1-(1-Isopropenyl-2-oxo-cyclohexyl)-4-phenyl-[1,2,4]triazolidine-3,5-dione

2-<(ethoxycarbonyl)methyl>-3,4,5,6,7,8-hexahydro-4,4-dimethyl-2H-1-benzopyran

ethyl 5,5-dimethyl-5-(2-oxocyclohexyl)pent-2-enoate