(1E)-1-Hexenylbenzene

Base Information

• Chemical Name: (1E)-1-Hexenylbenzene
• CAS No.: 6111-82-6
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID801314975
• Nikkaji Number: J181.288B,J547.213J
• Mol file: 6111-82-6.mol

Synonyms:(1E)-1-Hexenylbenzene;Benzene, 5-hexen-1-yl-;6111-82-6;(E)-1-Phenyl-1-hexene;Benzene, 1-hexenyl-, (E);E-Hexenylbenzol;1-hexenylbenzene;Hex-1-enylbenzene;1-phenyl-1-hexene;(E)-Hex-1-enylbenzene;(1E)-1-Hexenylbenzene #;[(E)-hex-1-enyl]-benzene;KETWBQOXTBGBBN-RMKNXTFCSA-N;DTXSID801314975

Chemical Property of (1E)-1-Hexenylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.89000
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1E)-1-Hexenylbenzene

There total 207 articles about (1E)-1-Hexenylbenzene 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: 93.0%

pentyltriphenylphosphonium bromide (21406-61-1) + benzaldehyde (100-52-7) → 1-phenylhex-1-ene (6111-82-6,15325-54-9,828-15-9) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With sodium hydroxide; water; In 1,4-dioxane; at 90 ℃; for 1.25h;

DOI:10.1016/S0040-4020(01)85886-5

Reference yield: 52.0%

(E)-1,3-diphenyl-2-propen-1-ol (62668-02-4) + C4H9Li*CeCl3 → (E)-1-phenyl-1-hexene (6111-82-6) + benzaldehyde (100-52-7)

Guidance literature:

(E)-1,3-diphenyl-2-propen-1-ol; With lithium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

C₄H₉Li*CeCl₃; In tetrahydrofuran; at -78 - -20 ℃; for 24h;

With iodine; In tetrahydrofuran;

DOI:10.1002/(SICI)1099-0690(200001)2000:1<99::AID-EJOC99>3.0.CO;2-1

Reference yield: 29.0%

C14H20B(1-)*Li(1+) (121826-82-2) → 1-phenylpropene (637-50-3) + 1-phenylhex-1-ene (6111-82-6,15325-54-9,828-15-9) + 2-methyl-1-phenyl-2-hexanol (106472-39-3) + phenylacetylene (536-74-3)

Guidance literature:

Yield given. Multistep reaction. Further byproducts given;

DOI:10.1016/S0040-4039(00)80450-5

upstream raw materials:

n-butyllithium

1-(2-chlorovinyl)benzene

bromostyrene

1-phenylhexan-1-ol

Downstream raw materials:

2-Hydrazino-1-phenyl-hexan

(1-phenylhexan-2-yl)phosphinic acid

(6-Phenyl-hexyl)-trichlorsilan

(1-Phenyl-hexyl)-trichlorsilan