2,5-Diethyl-2,4,6-trimethylcyclohex-3-en-1-one

Base Information

• Chemical Name: 2,5-Diethyl-2,4,6-trimethylcyclohex-3-en-1-one
• CAS No.: 61248-71-3
• Molecular Formula: C13H22O
• Molecular Weight: 194.317
• DSSTox Substance ID: DTXSID50493302

Synonyms:2,5-Diethyl-2,4,6-trimethylcyclohex-3-en-1-one;61248-71-3;DTXSID50493302

Chemical Property of 2,5-Diethyl-2,4,6-trimethylcyclohex-3-en-1-one

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 194.167065321
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(C(=O)C(C=C1C)(C)CC)C

Technology Process of 2,5-Diethyl-2,4,6-trimethylcyclohex-3-en-1-one

There total 3 articles about 2,5-Diethyl-2,4,6-trimethylcyclohex-3-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:

6-acetoxy-2,4,6-trimethyl-cyclohexa-2,4-dienone (4906-82-5) + diethylmagnesium (557-18-6) → Mesitol (527-60-6) + 2,5-diethyl-2,4,6-trimethyl-cyclohex-3-enone (61248-71-3) + isopropyl 2,4,6-trimethylphenyl ether (13605-05-5) + 6-ethyl-2,4,6-trimethylcyclohexa-2,4-dien-1-one (91083-11-3) + 3-isopropyl-2,4,6-trimethylphenol (54337-56-3) + C11H18O2

Guidance literature:

Product distribution; Kinetics;

DOI:10.1021/jo00191a015

Reference yield:

6-acetoxy-2,4,6-trimethyl-cyclohexa-2,4-dienone (4906-82-5) + ethylmagnesium bromide (925-90-6) → 2,5-diethyl-2,4,6-trimethyl-cyclohex-3-enone (61248-71-3)

Guidance literature:

In diethyl ether;

DOI:10.1021/jo00428a030

Reference yield:

6-acetoxy-2,4,6-trimethyl-cyclohexa-2,4-dienone (4906-82-5) + ethylmagnesium bromide (925-90-6) → 2,5-diethyl-2,4,6-trimethyl-cyclohex-3-enone (61248-71-3) + 3-ethyl-2,4,6-trimethyl-phenol (3180-05-0)

Guidance literature:

DOI:10.1007/BF00902572

upstream raw materials:

6-acetoxy-2,4,6-trimethyl-cyclohexa-2,4-dienone

ethylmagnesium bromide

diethylmagnesium

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