2-Octenylbenzene

Base Information

• Chemical Name: 2-Octenylbenzene
• CAS No.: 42079-83-4
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• DSSTox Substance ID: DTXSID101313045
• Nikkaji Number: J619.865A,J669.444F
• Mol file: 42079-83-4.mol

Synonyms:2-octenylbenzene;(2E)-2-Octen-1-ylbenzene;DTXSID101313045;42079-83-4

Chemical Property of 2-Octenylbenzene

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC1=CC=CC=C1
• Isomeric SMILES: CCCCC/C=C/CC1=CC=CC=C1

Technology Process of 2-Octenylbenzene

There total 14 articles about 2-Octenylbenzene 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: 80.0%

(E)-oct-2-en-1-ol (18409-17-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → trans-1-phenyl-2-octene (42079-83-4)

Guidance literature:

With K₁₀ clay; at 80 ℃; for 0.0833333h;

Reference yield: 80.0%

1-octen-3-ol (3391-86-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → trans-1-phenyl-2-octene (42079-83-4)

Guidance literature:

With K₁₀ clay; for 0.0833333h; Heating;

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + aniline (62-53-3) → (E)-1-phenyl-1-octene (28665-60-3) + trans-1-phenyl-2-octene (42079-83-4) + 2-phenyl-1-octene (5698-49-7) + 2-phenyl-2-(Z)-octene (53109-17-4)

Guidance literature:

With tert.-butylnitrite; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In acetic acid; at 50 ℃; for 0.5h; Yield given. Yields of byproduct given;

DOI:10.1021/jo00337a012

upstream raw materials:

oct-1-ene

triphenylphosphine

N-nitrosoacetanilide

hexanal

Downstream raw materials:

Octylbenzene

Refernces

• 1、 Yasui, Hiroto,Mizutani, Keiya,Yorimitsu, Hideki,Oshima, Koichiro. "Cobalt- and rhodium-catalyzed cross-coupling reaction of allylic ethers and halides with organometallic reagents". . p. 1410 - 1415. Retrieved 2007/10/03.
• 2、 Mechelke, Mark F.,Wiemer, David F.. "Synthesis of Farnesol Analogues through Cu(I)-Mediated Displacements of Allylic THP Ethers by Grignard Reagents". . p. 4821 - 4829. Retrieved 2007/10/03.