2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone

Base Information

• Chemical Name: 2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone
• CAS No.: 435270-49-8
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• DSSTox Substance ID: DTXSID20468865
• Nikkaji Number: J2.355.253A
• Mol file: 435270-49-8.mol

Synonyms:2,6-dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone;435270-49-8;SCHEMBL2183039;DTXSID20468865;STTLEAXLPNIELU-UHFFFAOYSA-N;2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclohexenone;2.6-dimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enone;2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enone

Chemical Property of 2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1=O)(C)CC=C(C)C

Technology Process of 2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone

There total 2 articles about 2,6-Dimethyl-6-(3-methyl-but-2-enyl)-cyclo-hex-2-enone 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%

2.6-dimethylphenol (576-26-1,25134-01-4) + 3,3-dimethyl-allyl chloride (503-60-6) → 2,6-dimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enone (435270-49-8)

Guidance literature:

2.6-dimethylphenol; With sodium hydride; In toluene; at 10 - 15 ℃; for 0.75h;

3,3-dimethyl-allyl chloride; In toluene; at 5 - 15 ℃; for 3.5h;

With hydrogen; palladium 10% on activated carbon; In methanol; toluene; at 20 - 22 ℃; under 225.023 Torr;

Reference yield: 81.0%

2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one (435270-58-9,909567-31-3) → 2,6-dimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enone (435270-49-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 - 22 ℃; under 225.023 Torr;

Reference yield: 98.0%

2,6-dimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enone (435270-49-8) → 2,6-dimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enol

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

upstream raw materials:

2,6-dimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

2.6-dimethylphenol

3,3-dimethyl-allyl chloride

Downstream raw materials:

5-isopropyl-1,3-dimethylbicyclo[3.2.1]oct-3-en-2-one

1,2,6-trimethyl-6-(3-methyl-but-2-enyl)-cyclohex-2-enol

5-isopropyl-1,3-dimethyl-bicyclo[3.2.1]oct-3-en-2-one