1-(3-Bromopropyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(3-Bromopropyl)-4-methylbenzene
• CAS No.: 54540-53-3
• Molecular Formula: C₁₀H₁₃Br
• Molecular Weight: 213.117
• European Community (EC) Number: 856-743-3
• Mol file: 54540-53-3.mol

Synonyms:1-(3-BROMOPROPYL)-4-METHYLBENZENE;54540-53-3;Benzene, 1-(3-bromopropyl)-4-methyl-;1-(3-Bromo-propyl)-4-methyl-benzene;SCHEMBL79346;3-(4-methylphenyl)propyl bromide;XXRBJMPVYKNDPG-UHFFFAOYSA-N;AKOS011898139;CS-0233074;EN300-130636;F80198

Chemical Property of 1-(3-Bromopropyl)-4-methylbenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromopropyl)-4-methylbenzene

There total 8 articles about 1-(3-Bromopropyl)-4-methylbenzene 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:

3-(4-methylphenyl)propanol (5406-39-3) → 1-(3-bromopropyl)-4-methylbenzene (54540-53-3)

Guidance literature:

With tetrachloromethane; phosphorus tribromide;

Reference yield:

trans-p-methylcinnamic acid (1866-39-3,940-61-4) → 1-(3-bromopropyl)-4-methylbenzene (54540-53-3)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium/charcoal / Hydrogenation

2: LiAlH₄; diethyl ether

3: hydrogen bromide / 100 - 120 °C

With palladium on activated charcoal; lithium aluminium tetrahydride; diethyl ether; hydrogen bromide;

DOI:10.1021/ja01147a045

Reference yield:

3-(4-Methylphenyl)propanoic acid (1505-50-6) → 1-(3-bromopropyl)-4-methylbenzene (54540-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄; diethyl ether

2: hydrogen bromide / 100 - 120 °C

With lithium aluminium tetrahydride; diethyl ether; hydrogen bromide;

DOI:10.1021/ja01147a045

upstream raw materials:

p-allyltoluene

3-(4-methylphenyl)propanol

4-methylcinnamic acid

methyl 3-(p-tolyl)propionate

Downstream raw materials:

4-(4-methylphenyl)butyric acid

N,N-dimethyl-3-(4-methylphenyl)propylamine

2-(3,5-Dimethoxyphenyl)-5-(4-Methylphenyl)Pentane

O-(3-(4-methylphenyl)-1-propyl) benzohydroxamate