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

Base Information

• Chemical Name: (3-Methylpent-3-en-1-yl)benzene
• CAS No.: 33501-91-6
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID80706694
• Mol file: 33501-91-6.mol

Synonyms:33501-91-6;(3-Methylpent-3-en-1-yl)benzene;DTXSID80706694

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

Chemical Property:

• XLogP3: 4.1
• 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: CC=C(C)CCC1=CC=CC=C1

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

There total 9 articles about (3-Methylpent-3-en-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: 100.0%

4-Phenyl-2-butanone (2550-26-7) + ethyltriphenylphosphonium bromide (1530-32-1) → (E,Z)-3-methyl-5-phenylpent-2-ene (33501-91-6)

Guidance literature:

ethyltriphenylphosphonium bromide; With potassium tert-butylate; In toluene; at 0 - 20 ℃; for 1.16667h;

4-Phenyl-2-butanone; In toluene; at 75 ℃; for 4h;

DOI:10.1021/ol036385i

Reference yield: 84.0%

1-methyl-3-phenyl-1-(1-phenylsulfonylethyl) propyl benzoate → (E,Z)-3-methyl-5-phenylpent-2-ene (33501-91-6)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at -78 ℃;

DOI:10.1016/0040-4039(96)00200-6

Reference yield:

4-Phenyl-2-butanone (2550-26-7) → (E,Z)-3-methyl-5-phenylpent-2-ene (33501-91-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / n-BuLi / tetrahydrofuran; hexane / 0.83 h / -78 °C

2: 84 percent / HMPA; SmI₂ / tetrahydrofuran / 1 h / -84 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; samarium diiodide; In tetrahydrofuran; hexane;

DOI:10.1016/S0040-4020(01)00079-5

upstream raw materials:

toluene

isoprene

3-Methyl-2-phenylseleno-5-phenyl-3-pentanol

4-Phenyl-2-butanone

Downstream raw materials:

(E)-(3-methylpent-2-en-1-yl)benzene

(3-ethyl-3-butenyl)benzene

1,2-dimethyl-1,2,3,4-tetrahydro-naphthalene

1,1-methylethylindane