3-Butyl-3-methyl-6-methylidenecyclohexa-1,4-diene

Base Information

• Chemical Name: 3-Butyl-3-methyl-6-methylidenecyclohexa-1,4-diene
• CAS No.: 84004-90-0
• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.275
• DSSTox Substance ID: DTXSID90574341

Synonyms:3-Butyl-3-methyl-6-methylidenecyclohexa-1,4-diene;84004-90-0;DTXSID90574341

Chemical Property of 3-Butyl-3-methyl-6-methylidenecyclohexa-1,4-diene

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(C=CC(=C)C=C1)C

Technology Process of 3-Butyl-3-methyl-6-methylidenecyclohexa-1,4-diene

There total 2 articles about 3-Butyl-3-methyl-6-methylidenecyclohexa-1,4-diene 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:

1,4-dimethyl-4-butyl-2,5-cyclohexadien-1-ol (90095-60-6) → 1-butyl-2,4-dimethyl-benzene (1601-73-6) + 3-methyl-3-butyl-6-methylene-1,4-cyclohexadiene (84004-90-0)

Guidance literature:

at -70 ℃; for 168h; Yield given. Yields of byproduct given;

Reference yield:

(η2-ethylene)(4-methyl-4-n-butyl-1-η2-methylene)(2,5-η4-cyclohexadiene)(rhodium-2,4-O,O'-pentadionato)(rhodium-2,4-O,O'-pentadionato) + ethene (74-85-1) → bis(ethylene)rhodium acetylacetonate + 3-methyl-3-butyl-6-methylene-1,4-cyclohexadiene (84004-90-0)

Guidance literature:

In pentane; heated to reflux, cooled to -70°C; NMR, TLC;

DOI:10.1016/S0022-328X(00)98959-9

Reference yield:

3-methyl-3-butyl-6-methylene-1,4-cyclohexadiene (84004-90-0) → 1-butyl-2,4-dimethyl-benzene (1601-73-6)

Guidance literature:

With trifluoroacetic acid; at 20 ℃;

upstream raw materials:

1,4-dimethyl-4-butyl-2,5-cyclohexadien-1-ol

ethene

Downstream raw materials:

1-butyl-2,4-dimethyl-benzene

C₁₂H₁₇Cl₂OP

Me(n-Bu)C₆H₃CH₂HgCl

Me(n-Bu)C₆H₃CH₂HgCl

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