4-(4-Chlorophenyl)-2-methyl-1-butene

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-2-methyl-1-butene
• CAS No.: 106897-78-3
• Molecular Formula: C11H13Cl
• Molecular Weight: 180.67
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80546936
• Wikidata: Q82424898
• Mol file: 106897-78-3.mol

Synonyms:106897-78-3;4-(4-chlorophenyl)-2-methyl-1-butene;1-Chloro-4-(3-methylbut-3-enyl)benzene;4-(4-Chlorophenyl)-2-methylbut-1-ene;MFCD00671905;4-(3-Methylbut-3-en-1-yl)chlorobenzene;1-chloro-4-(3-methylbut-3-en-1-yl)benzene;DTXSID80546936;AKOS016016721

Chemical Property of 4-(4-Chlorophenyl)-2-methyl-1-butene

Chemical Property:

• Vapor Pressure: 0.0925mmHg at 25°C
• Boiling Point: 231.9°C at 760 mmHg
• Flash Point: 97.2°C
• PSA: 0.00000
• Density: 1.011g/cm³
• LogP: 3.84870
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 180.0705781
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-chlorophenyl)-2-methyl-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCC1=CC=C(C=C1)Cl

Technology Process of 4-(4-Chlorophenyl)-2-methyl-1-butene

There total 2 articles about 4-(4-Chlorophenyl)-2-methyl-1-butene 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: 99.0%

4-chlorobenzyl bromide (622-95-7) + 3-Chloro-2-methylpropene (563-47-3) → 1-chloro-4-(3-methyl-3-butenyl)benzene (106897-78-3)

Guidance literature:

3-Chloro-2-methylpropene; With magnesium; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

4-chlorobenzyl bromide; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja406028c

Reference yield:

1-Chloro-4-(chloromethyl)benzene (104-83-6) + 3-Chloro-2-methylpropene (563-47-3) → 1-chloro-4-(3-methyl-3-butenyl)benzene (106897-78-3)

Guidance literature:

With ethyl bromide; iodine; magnesium; copper(I) bromide; Yield given. Multistep reaction; 1.) diethyl ether, 25-30 deg C, 5 h; 2.) THF, reflux, 3 h;

DOI:10.1248/cpb.34.4653

Reference yield: 78.0%

1-chloro-4-(3-methyl-3-butenyl)benzene (106897-78-3) → C11H15ClO (1340308-55-5)

Guidance literature:

1-chloro-4-(3-methyl-3-butenyl)benzene; With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; ethanol; water; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja406028c

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

3-Chloro-2-methylpropene

4-chlorobenzyl bromide

Downstream raw materials:

ethyl 2-<(4-(3-methyl-3-butenyl)phenyl)>propionate

2-<(4-(3-methyl-3-butenyl)phenyl)>propionic acid

C₁₀H₁₃ClO₂

C₁₁H₁₅ClO