4,5-Dimethylcyclohexen-2-one

Base Information

• Chemical Name: 4,5-Dimethylcyclohexen-2-one
• CAS No.: 5715-25-3
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.183
• DSSTox Substance ID: DTXSID20339642
• Nikkaji Number: J99.948B
• Mol file: 5715-25-3.mol

Synonyms:4,5-Dimethylcyclohexen-2-one;4,5-Dimethyl-2-cyclohexen-1-one;2-Cyclohexen-1-one, 4,5-dimethyl-;5715-25-3;SCHEMBL13766089;DTXSID20339642;4,5-Dimethyl-2-cyclohexen-1-one #

Chemical Property of 4,5-Dimethylcyclohexen-2-one

Chemical Property:

• PSA: 17.07000
• LogP: 1.78760
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C=CC1C

Technology Process of 4,5-Dimethylcyclohexen-2-one

There total 5 articles about 4,5-Dimethylcyclohexen-2-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:

4,5-Dimethyl-cyclohex-2-enol (5715-22-0) → 2-cyclohexen-1-one, 4,5-dimethyl- (5715-25-3)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In acetone;

DOI:10.1007/BF00850331

Reference yield:

3-methyl-4-formylcyclohexene (17775-58-5) → 2-cyclohexen-1-one, 4,5-dimethyl- (5715-25-3)

Guidance literature:

Multi-step reaction with 5 steps

1: (i) N₂H₄, diethylene glycol, (ii) KOH

2: NBS / CCl₄

3: acetic acid

4: KOH / methanol

5: CrO₃, aq. H₂SO₄ / acetone

With chromium(VI) oxide; potassium hydroxide; N-Bromosuccinimide; sulfuric acid; In methanol; tetrachloromethane; acetic acid; acetone;

DOI:10.1007/BF00850331

Reference yield:

6-Brom-3,4-dimethyl-cyclohexen (4561-24-4) → 2-cyclohexen-1-one, 4,5-dimethyl- (5715-25-3)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid

2: KOH / methanol

3: CrO₃, aq. H₂SO₄ / acetone

With chromium(VI) oxide; potassium hydroxide; sulfuric acid; In methanol; acetic acid; acetone;

DOI:10.1007/BF00850331

upstream raw materials:

4,5-Dimethyl-cyclohex-2-enol

3-methyl-4-formylcyclohexene

2,3-Dimethyl-cyclohexen

6-Brom-3,4-dimethyl-cyclohexen