1-Bromo-2-(3-iodopropyl)benzene

Base Information

• Chemical Name: 1-Bromo-2-(3-iodopropyl)benzene
• CAS No.: 113163-20-5
• Molecular Formula: C9H10BrI
• Molecular Weight: 324.987
• DSSTox Substance ID: DTXSID40444863
• Mol file: 113163-20-5.mol

Synonyms:1-bromo-2-(3-iodopropyl)benzene;113163-20-5;Benzene, 1-bromo-2-(3-iodopropyl)-;SCHEMBL773438;DTXSID40444863

Chemical Property of 1-Bromo-2-(3-iodopropyl)benzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 323.90106
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCI)Br

Technology Process of 1-Bromo-2-(3-iodopropyl)benzene

There total 11 articles about 1-Bromo-2-(3-iodopropyl)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: 87.0%

3-(2-bromo-phenyl)-propan-1-ol (52221-92-8) → 1-bromo-2-(3-iodopropyl)benzene (113163-20-5)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1021/jo0620720

Reference yield: 87.0%

3-(2-bromophenyl)propyl methanesulfonate (165803-61-2) → 1-bromo-2-(3-iodopropyl)benzene (113163-20-5)

Guidance literature:

With sodium iodide; In acetone; for 2h; Heating;

DOI:10.1021/jo971158d

Reference yield: 55.0%

3-chloro-2-cyclohexenone (5682-75-7) + 3-(2-bromo-phenyl)-propan-1-ol (52221-92-8) → 1-bromo-2-(3-iodopropyl)benzene (113163-20-5)

Guidance literature:

With triphenyl phosphite; methyl iodide; at 75 - 130 ℃; for 24h; Heating;

DOI:10.1021/ja00215a035

upstream raw materials:

3-chloro-2-cyclohexenone

3-(2-bromo-phenyl)-propan-1-ol

3-(2-bromophenyl)propyl methanesulfonate

3-(2-bromophenyl)propionic acid

Downstream raw materials:

2-{1-[3-(2-Bromo-phenyl)-propyl]-1H-indol-3-yl}-N,N-dipropyl-acetamide

3-(2-lithiophenyl)-1-bromopropane

3-(2-bromophenyl)-1-lithiopropane

2-[3-(2-bromophenyl)-1-phenylbutyl]-4,4-dimethyl-2-oxazoline