(4-Chlorobut-2-en-1-yl)benzene

Base Information

• Chemical Name: (4-Chlorobut-2-en-1-yl)benzene
• CAS No.: 41314-25-4
• Molecular Formula: C10H11Cl
• Molecular Weight: 166.65
• DSSTox Substance ID: DTXSID60706359
• Mol file: 41314-25-4.mol

Synonyms:41314-25-4;(4-Chlorobut-2-en-1-yl)benzene;o-chloromethylallyl benzene;DTXSID60706359

Chemical Property of (4-Chlorobut-2-en-1-yl)benzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 166.0549280
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Chlorobut-2-en-1-yl)benzene

There total 6 articles about (4-Chlorobut-2-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: 55.0%

benzene diazonium chloride (100-34-5) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,8-diphenyl-2,6-octadiene (32917-66-1) + 4-chloro-1-phenyl-2-butene (41314-25-4) + 1-phenyl-8-chloro-2,6-octadiene (40734-71-2) + chlorobenzene (108-90-7)

Guidance literature:

With iron(II) chloride; pH 4-5;

Reference yield:

3-phenylbut-2-en-1-ol (54976-37-3,54976-38-4,1504-54-7) → 4-chloro-1-phenyl-2-butene (41314-25-4)

Guidance literature:

With thionyl chloride;

Reference yield:

aniline (62-53-3) → 4-chloro-1-phenyl-2-butene (41314-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, aq. H₂SO₄, (ii) /BRN= 605258/, CuSO₄, FeSO₄

2: SOCl₂

With thionyl chloride;

upstream raw materials:

3-phenylbut-2-en-1-ol

benzene diazonium chloride

buta-1,3-diene

aniline

Downstream raw materials:

1-(4-phenyl-but-2ξ-enyl)-piperidine

1,4-diphenylbut-2-ene

(E)-buta-1,3-dienylbenzene

1-iodo-4-phenyl-but-2ξ-ene