[(1E)-1-Methyl-1-penten-1-yl]benzene

Base Information

• Chemical Name: [(1E)-1-Methyl-1-penten-1-yl]benzene
• CAS No.: 20826-49-7
• Molecular Formula: C₁₂H₁₆
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID301290677
• Mol file: 20826-49-7.mol

Synonyms:[(1E)-1-Methyl-1-penten-1-yl]benzene;DTXSID301290677;20826-49-7

Chemical Property of [(1E)-1-Methyl-1-penten-1-yl]benzene

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC=C(C)C1=CC=CC=C1
• Isomeric SMILES: CCC/C=C(\C)/C1=CC=CC=C1

Technology Process of [(1E)-1-Methyl-1-penten-1-yl]benzene

There total 20 articles about [(1E)-1-Methyl-1-penten-1-yl]benzene 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: 99.0%

→ trans-hex-2-en-2-ylbenzene (20826-49-7)

Guidance literature:

With C₂₉H₂₇N₂OP; sodium triethylborohydride; cobalt(II) chloride; for 0.166667h;

Reference yield: 85.0%

5-hexen-2-ylbenzene (30134-52-2) → 2-phenylhex-1-ene (20826-80-6) + trans-hex-2-en-2-ylbenzene (20826-49-7) + 4-hexen-2-ylbenzene (5696-82-2)

Guidance literature:

With tantalum pentachloride; palladium dichloride; In 2-methyltetrahydrofuran; at 120 ℃; for 12h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/c9cc00223e

Reference yield: 84.0%

2-phenylhex-1-ene (20826-80-6) → trans-hex-2-en-2-ylbenzene (20826-49-7)

Guidance literature:

With borane-ammonia complex; (3aR,7aR)-1,3-diisopropyl-2-((2-((E)-(pyridin-2-ylmethylene)amino)phenyl)amino)octahydro-1H-benzo[d][1,3,2]diazaphosphole 2-oxide; cobalt(II) bromide; sodium t-butanolate; In toluene; at 60 ℃; for 12h; stereoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1021/jacs.0c02101

upstream raw materials:

2-phenylhexan-2-ol

N-Acetyl-α-methyl-α-butyl-benzylamin

2-cyclobutyl-2-phenylpropiophenone

butylidenetriphenylphosphorane

Downstream raw materials:

acetophenone