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

Base Information

• Chemical Name: 4-(4-Bromophenyl)-2-methyl-1-butene
• CAS No.: 138624-01-8
• Molecular Formula: C11H13Br
• Molecular Weight: 225.12500
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID90566943
• Wikidata: Q82452716
• Mol file: 138624-01-8.mol

Synonyms:138624-01-8;4-(4-bromophenyl)-2-methyl-1-butene;1-bromo-4-(3-methylbut-3-enyl)benzene;1-bromo-4-(3-methylbut-3-en-1-yl)benzene;4-(4-Bromophenyl)-2-methylbut-1-ene;MFCD00671888;4-(3-Methylbut-3-en-1-yl)bromobenzene;DTXSID90566943;AKOS016016686;Benzene, 1-bromo-4-(3-methyl-3-buten-1-yl)-

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

Chemical Property:

• Vapor Pressure: 0.0231mmHg at 25°C
• Boiling Point: 257.7oC at 760 mmHg
• Flash Point: 108.3oC
• PSA: 0.00000
• Density: 1.231g/cm3
• LogP: 3.95780
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 224.02006
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-bromophenyl)-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)Br

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

There total 5 articles about 4-(4-Bromophenyl)-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: 77.0%

1-bromomethyl-4-bromobenzene (589-15-1) + 3-Chloro-2-methylpropene (563-47-3) → 1-Bromo-4-(3-methyl-but-3-enyl)-benzene (138624-01-8)

Guidance literature:

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

1-bromomethyl-4-bromobenzene; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja406028c

Reference yield:

4-(4-bromophenyl)-2-methyl-2-butanol (87077-84-7) → 1-bromo-4-(3-methyl-2-buten-1-yl)benzene (85964-37-0) + 1-Bromo-4-(3-methyl-but-3-enyl)-benzene (138624-01-8)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 25 ℃; for 2h; Yield given. Yields of byproduct given;

DOI:10.1016/0040-4039(91)80200-P

Reference yield:

Methyltriphenylphosphonium bromide (1779-49-3) + 4-(4-bromophenyl)-2-butanone (89201-84-3) → 1-Bromo-4-(3-methyl-but-3-enyl)-benzene (138624-01-8)

Guidance literature:

Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h; Inert atmosphere;

4-(4-bromophenyl)-2-butanone; In tetrahydrofuran; hexane; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1002/adsc.201500646

upstream raw materials:

4-(4-bromophenyl)-2-methyl-2-butanol

1-bromomethyl-4-bromobenzene

3-Chloro-2-methylpropene

Methyltriphenylphosphonium bromide

Downstream raw materials:

C₂₄H₄₄OSi

C₁₈H₂₆O₂

C₁₇H₂₄O₂

C₁₇H₂₄O