2-(But-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one

Base Information

• Chemical Name: 2-(But-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
• CAS No.: 126565-88-6
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.301
• DSSTox Substance ID: DTXSID50559977
• Wikidata: Q82442901
• Mol file: 126565-88-6.mol

Synonyms:126565-88-6;2-(But-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one;DTXSID50559977

Chemical Property of 2-(But-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(But-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one

There total 1 articles about 2-(But-3-en-1-yl)-3,5,5-trimethylcyclohex-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:

1-bromo-4-butene (5162-44-7) + 3,5,5-Trimethylcyclohex-2-en-1-one (78-59-1) → 2-(but-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one (126565-88-6)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) 55-60 percent paraffin oil/toluene, 90 deg C, 15 min; reflux, 1 h, 2.) toluene, reflux, 4 h;

DOI:10.1002/hlca.19890720628

Reference yield:

methyl magnesium iodide (917-64-6) + 2-(but-3-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one (126565-88-6) → 2-But-3-enyl-1,3,5,5-tetramethyl-cyclohex-2-enol (139726-55-9)

Guidance literature:

In diethyl ether; for 2h; Heating;

DOI:10.1002/hlca.19890720628

upstream raw materials:

1-bromo-4-butene

3,5,5-Trimethylcyclohex-2-en-1-one

Downstream raw materials:

2-But-3-enyl-1,3,5,5-tetramethyl-cyclohex-2-enol