1-(4-Bromo-butyl)-4-vinylbenzene

Base Information

• Chemical Name: 1-(4-Bromo-butyl)-4-vinylbenzene
• CAS No.: 41996-97-8
• Molecular Formula: C12H15Br
• Molecular Weight: 239.155
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10455865
• Nikkaji Number: J739.972C
• Wikidata: Q82278020
• Mol file: 41996-97-8.mol

Synonyms:1-(4-Bromo-butyl)-4-vinylbenzene;41996-97-8;1-(4-bromobutyl)-4-ethenylbenzene;1-(4-Bromobutyl)-4-vinylbenzene;4-(4-bromobutyl)styrene;SCHEMBL3626614;DTXSID10455865;1-(4-bromo-butyl)-4-vinyl-benzene;MFCD22493336

Chemical Property of 1-(4-Bromo-butyl)-4-vinylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 4.04720
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 238.03571
• Heavy Atom Count: 13
• Complexity: 134

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CC=C(C=C1)CCCCBr

Technology Process of 1-(4-Bromo-butyl)-4-vinylbenzene

There total 2 articles about 1-(4-Bromo-butyl)-4-vinylbenzene 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: 64.0%

1,4-dibromo-butane (110-52-1) + (4-Vinylphenyl)magnesium chloride (7459-73-6) → 1-bromo-4-(4-ethenylphenyl)butane (41996-97-8)

Guidance literature:

With Br₂Cu^(1-)*Li⁽¹⁺⁾; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1016/j.tet.2004.09.083

Reference yield: 53.0%

4-Vinylbenzyl chloride (1592-20-7,29296-32-0) + 1,3-dibromo-propane (109-64-8) → 1-bromo-4-(4-ethenylphenyl)butane (41996-97-8)

Guidance literature:

4-Vinylbenzyl chloride; With iodine; magnesium; In diethyl ether; at 0 - 20 ℃; for 4.5h;

1,3-dibromo-propane; With dilithium tetrachlorocuprate; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; Further stages.;

DOI:10.1016/j.tet.2004.04.026

Reference yield: 90.0%

1-bromo-4-(4-ethenylphenyl)butane (41996-97-8) + C40H37NO3 → C52H51NO3

Guidance literature:

C₄₀H₃₇NO₃; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

1-bromo-4-(4-ethenylphenyl)butane; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 2h;

DOI:10.1246/BCSJ.20200355

upstream raw materials:

4-Vinylbenzyl chloride

1,3-dibromo-propane

1,4-dibromo-butane

(4-Vinylphenyl)magnesium chloride

Downstream raw materials:

N-[4-(4-vinylphenyl)butyl]phthalimide

2-(4-(4-vinylphenyl)butoxy)acetophenone

5-(4-(4-ethenylphenyl)butoxy)methyl-1,3-dithiane

4-(4-(2-isopropenylphenoxy)butyl)styrene