Benzene, (1-ethenylbutyl)-

Base Information

• Chemical Name: Benzene, (1-ethenylbutyl)-
• CAS No.: 64275-32-7
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID30982820
• Nikkaji Number: J1.161.449C
• Mol file: 64275-32-7.mol

Synonyms:Benzene, (1-ethenylbutyl)-;(1-ethenylbutyl)benzene;64275-32-7;3-phenyl-1-hexene;(Hex-1-en-3-yl)benzene;DTXSID30982820

Chemical Property of Benzene, (1-ethenylbutyl)-

Chemical Property:

• Vapor Pressure: 0.267mmHg at 25°C
• Boiling Point: 211.3°Cat760mmHg
• Flash Point: 74.5°C
• Density: 0.87g/cm³
• 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: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (1-ethenylbutyl)-

There total 15 articles about Benzene, (1-ethenylbutyl)- 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: 89.0%

(2E)-hex-2-en-1-yl 4-(trifluoromethyl)phenyl ether (1394035-49-4) + phenylboronic acid (98-80-6) → (1-vinylbutyl)benzene (64275-32-7)

Guidance literature:

With di-μ-chlorobis(norbornadiene)dirhodium(I); C₇₅H₁₀₂O₈P₂; potassium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 1h; enantioselective reaction; Inert atmosphere;

DOI:10.1021/ol3019902

Reference yield:

(n-butyl)(phenyl)zinc + 2-hexenyl acetate (2497-18-9,56922-75-9,10094-40-3) → (hex-2-enyl)benzene (67590-77-6) + (1-vinylbutyl)benzene (64275-32-7)

Guidance literature:

(n-butyl)(phenyl)zinc; With copper(l) iodide; In tetrahydrofuran; at -20 ℃; for 0.25h; Inert atmosphere;

2-hexenyl acetate; In tetrahydrofuran; at -20 - 25 ℃; for 1h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.jorganchem.2016.05.014

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ethene (74-85-1) → (1-vinylbutyl)benzene (64275-32-7)

Guidance literature:

With chromium(III) chloride tris(tetrahydrofuran) solvate; {2-C₆H₄(OMe)}2PN(Me)P(C₆H₅)2; In toluene; at 25 ℃; for 1h; under 750.075 Torr; Inert atmosphere;

DOI:10.1039/b913302j

upstream raw materials:

lithium methyltripropylborate

cinnamyl chloride

trans-1-(trimethylsiloxy)hex-2-ene

3-trimethylsiloxy-1-hexene