Cyclohexanone, 2-(1-methylethenyl)-

Base Information

• Chemical Name: Cyclohexanone, 2-(1-methylethenyl)-
• CAS No.: 58070-37-4
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID90452014
• Nikkaji Number: J2.237.635G
• Mol file: 58070-37-4.mol

Synonyms:58070-37-4;Cyclohexanone, 2-(1-methylethenyl)-;2-isopropenylcyclohexanone;SCHEMBL6345547;DTXSID90452014;ZAAJICYSRFINRT-UHFFFAOYSA-N;2-(prop-1-en-2-yl)cyclohexanone

Chemical Property of Cyclohexanone, 2-(1-methylethenyl)-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1CCCCC1=O

Technology Process of Cyclohexanone, 2-(1-methylethenyl)-

There total 15 articles about Cyclohexanone, 2-(1-methylethenyl)- 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: 81.0%

(1S,2R)-2-(prop-1-en-2-yl)cyclohexanol → 2-(1-methylethenyl)cyclohexanone (58070-37-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0034-1380133

Reference yield: 80.0%

(±)-(1S,2R)-2-(prop-1-en-2-yl)cyclohexanol (24350-58-1,71955-57-2,104746-46-5,139012-83-2,139012-84-3) → 2-(1-methylethenyl)cyclohexanone (58070-37-4)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 ℃;

DOI:10.1021/ol005502w

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-isopropenylcyclohexanone ethylene ketal

2-(1-Methyl-1-methylselanyl-ethyl)-cyclohexanone

2-<1-hydroxy-1-methyl-2-(phenylseleno)ethyl>cyclohexanone

isopropenylmagnesium bromide

Downstream raw materials:

(±)-(1S,2R)-2-(prop-1-en-2-yl)-1-vinylcyclohexanol

2-isopropenyl-2-methyl-cyclohexanone

C₅H₅Fe(CO)2CH₂C(CH₃)C₆H₈(CH₃)O⁽¹⁺⁾*BF₄^(1-)

(E)-12-methyl-3,4,7,8,9,10,13,13a-octahydro-1H-pyrido[1,2-a]azecin-6(2H)-one