3-Ethenyl-4-methylcyclohex-2-en-1-one

Base Information

• Chemical Name: 3-Ethenyl-4-methylcyclohex-2-en-1-one
• CAS No.: 84488-28-8
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• DSSTox Substance ID: DTXSID40515486
• Mol file: 84488-28-8.mol

Synonyms:3-Ethenyl-4-methylcyclohex-2-en-1-one;84488-28-8;DTXSID40515486

Chemical Property of 3-Ethenyl-4-methylcyclohex-2-en-1-one

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(=O)C=C1C=C

Technology Process of 3-Ethenyl-4-methylcyclohex-2-en-1-one

There total 12 articles about 3-Ethenyl-4-methylcyclohex-2-en-1-one 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: 68.0%

3-ethenyl-3-hydroxy-4ζ-methylcyclohexan-1-one (84488-27-7) → 3-ethenyl-4-methylcyclohex-2-en-1-one (84488-28-8)

Guidance literature:

With sodium hydrogencarbonate; In methanol; at 35 ℃; for 1h;

DOI:10.1071/CH9842305

Reference yield: 10.0%

3-ethenyl-4-methylcyclohex-3-en-1-one (68434-03-7) → 3-ethenyl-4-methylcyclohex-2-en-1-one (84488-28-8)

Guidance literature:

With hydrogenchloride; In chloroform; at 0 ℃; for 0.166667h;

DOI:10.1071/CH9842295

Reference yield:

8-methyl-1,4-dioxaspiro<4,5>decan-7-one (84488-23-3) → 3-ethenyl-4-methylcyclohex-2-en-1-one (84488-28-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / diethyl ether / 1.) -20 deg C, 15 min, 2.) -5 deg C, 4 h

2: potassium hydrogen sulfate / 0.17 h / 150 °C

With potassium hydrogensulfate; In diethyl ether;

upstream raw materials:

ethanol

3-ethenyl-3-hydroxy-4ζ-methylcyclohexan-1-one

3-ethenyl-4-methylcyclohex-3-en-1-one

7-ethenyl-8ξ-methyl-1,4-dioxaspiro<4,5>decan-7-ol

Downstream raw materials:

C₁₉H₂₁N₃O₄