1-(3-Methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde

Base Information

• Chemical Name: 1-(3-Methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde
• CAS No.: 92749-26-3
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.274
• DSSTox Substance ID: DTXSID40527564
• Mol file: 92749-26-3.mol

Synonyms:92749-26-3;1-(3-Methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde;DTXSID40527564

Chemical Property of 1-(3-Methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C=CC1(CCCCC1)C=O)C

Technology Process of 1-(3-Methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde

There total 1 articles about 1-(3-Methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde 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:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(3-methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde (92749-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / iPr₂N(-)*Li(+) / tetrahydrofuran / -78 - 20 °C

2: 75 percent / p-toluenesulfonic acid, hydrochinone / benzene / 4 h / Heating

With toluene-4-sulfonic acid; hydroquinone; lithium diisopropyl amide; In tetrahydrofuran; benzene;

Reference yield:

1-(3-methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde (92749-26-3) + (methoxymethyl)diphenylphosphine oxide (4455-77-0) → methoxy-1 methyl-6 pentamethylene-3 heptatriene-1,4,5 (92749-27-4,92749-36-5)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 20 ℃; Yield given;

Reference yield:

1-(3-methylbuta-1,2-dien-1-yl)cyclohexane-1-carbaldehyde (92749-26-3) → dimethoxy-1,1 methyl-6 pentamethylene-3 heptadiene-4,5 (92749-28-5)

Guidance literature:

Multi-step reaction with 2 steps

1: iPr₂N(-)*Li(+) / tetrahydrofuran / -78 - 20 °C

2: BF₃*Et₂O / 0 °C

With boron trifluoride diethyl etherate; lithium diisopropyl amide; In tetrahydrofuran;

upstream raw materials:

cyclohexanone

Downstream raw materials:

methoxy-1 methyl-6 pentamethylene-3 heptatriene-1,4,5

methyl-6 pentamethylene-3 heptadiene-4,5 ol-1

methyl-6 pentamethylene-3 heptadiene-4,5 oate de methyle

dimethoxy-1,1 methyl-6 pentamethylene-3 heptadiene-4,5