(3-Methylpent-1-en-3-yl)benzene

Base Information

• Chemical Name: (3-Methylpent-1-en-3-yl)benzene
• CAS No.: 51752-50-2
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID40507407
• Nikkaji Number: J2.075.065K
• Mol file: 51752-50-2.mol

Synonyms:(3-methylpent-1-en-3-yl)benzene;51752-50-2;DTXSID40507407;(1-ethyl-1-methyl-2-propenyl)benzene

Chemical Property of (3-Methylpent-1-en-3-yl)benzene

Chemical Property:

• Boiling Point: 209.4±10.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.869±0.06 g/cm3(Predicted)
• LogP: 3.54030
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Methylpent-1-en-3-yl)benzene

There total 8 articles about (3-Methylpent-1-en-3-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: 83.0%

3-methyl-2-phenyl-1-trimethylsilylpentan-3-ol (79238-94-1) → rac-3-methyl-3-phenylpent-1-ene (51752-50-2)

Guidance literature:

With borontrifluoride acetic acid; In dichloromethane; at 0 ℃; for 0.25h;

DOI:10.1016/S0040-4039(01)92922-3

Reference yield: 74.0%

ethene (74-85-1) + 1-ethylstyrene (2039-93-2) → rac-3-methyl-3-phenylpent-1-ene (51752-50-2)

Guidance literature:

With [2-(benzyloxy)phenyl]diphenylphosphane; bi(allylnickel bromide); sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In dichloromethane; at 0 - 23 ℃; for 15h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/adsc.201400237

Reference yield: 15.0%

2-phenyl-3-trimethylsilylmethylpentan-2-ol (79239-00-2) → rac-3-methyl-3-phenylpent-1-ene (51752-50-2) + 2-ethyl-3-phenyl-2-butene (61777-06-8)

Guidance literature:

With boron trifluoride diacetate; In dichloromethane; at 0 ℃; for 0.25h;

upstream raw materials:

styrene

ethene

3-methyl-2-phenyl-1-trimethylsilylpentan-3-ol

2-phenyl-3-trimethylsilylmethylpentan-2-ol