(1-Vinylidene-pentyl)-benzene

Base Information

• Chemical Name: (1-Vinylidene-pentyl)-benzene
• CAS No.: 64275-33-8
• Molecular Formula: C13H16
• Molecular Weight: 172.27
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10493924
• Nikkaji Number: J2.423.456H
• Mol file: 64275-33-8.mol

Synonyms:64275-33-8;(1-VINYLIDENE-PENTYL)-BENZENE;(Hepta-1,2-dien-3-yl)benzene;DTXSID10493924;AKOS006289093

Chemical Property of (1-Vinylidene-pentyl)-benzene

Chemical Property:

• PSA: 0.00000
• LogP: 4.04510
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 172.125200510
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

(1-VINYLIDENE-PENTYL)-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1-Vinylidene-pentyl)-benzene

There total 5 articles about (1-Vinylidene-pentyl)-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%

di-n-butylzinc (1119-90-0) + 3-phenyl-2-propyn-1-yl methanesulfonate (82490-61-7) → 3-phenyl-1,2-heptadiene (64275-33-8)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ol801249w

Reference yield: 82.0%

n-butyl magnesium bromide (693-03-8) + (3-methoxyprop-1-yn-1-yl)benzene (22174-59-0) → 3-phenyl-1,2-heptadiene (64275-33-8)

Guidance literature:

With copper(I) bromide; In diethyl ether; at 20 ℃;

DOI:10.1016/j.tet.2009.02.061

Reference yield: 74.0%

bromobenzene (108-86-1,52753-63-6) + 2-methyl-4-nonyn-2-ol (871-40-9) → 3-phenyl-1,2-heptadiene (64275-33-8)

Guidance literature:

With potassium hydroxide; N,N-dimethyl acetamide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In hexane; toluene; for 4h; Heating;

DOI:10.1021/ja800986m

upstream raw materials:

1-bromo-3-phenylprop-2-yne

bromobenzene

2-methyl-4-nonyn-2-ol

di-n-butylzinc

Downstream raw materials:

N-methoxy-2-(3-phenylhept-2(Z)-enyl)benzamide

2-(3-butylhept-2(Z)-enyl)-N-methoxy-6-(3-phenylhept-2-enyl)benzamide

2-bromo-3-phenyl-1-hepten-3-ol

(E)-2-bromo-3-phenyl-2-hepten-1-ol

Refernces

• 1、 Hayashi, Sayuri,Hirano, Koji,Yorimitsu, Hideki,Oshima, Koichiro. "Synthesis of arylallenes by palladium-catalyzed retro-propargylation of homopropargyl alcohols". . p. 5048 - 5049. Retrieved 2008/10/09.