1-(3-Bromobenzyl)-1H-imidazole

Base Information

• Chemical Name: 1-(3-Bromobenzyl)-1H-imidazole
• CAS No.: 72459-47-3
• Molecular Formula: C10H9 Br N2
• Molecular Weight: 237.099
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00436926
• Wikidata: Q82252275
• Pharos Ligand ID: 3C8JL82X17YQ
• ChEMBL ID: CHEMBL598391
• Mol file: 72459-47-3.mol

Synonyms:1-(3-Bromobenzyl)-1H-imidazole;72459-47-3;1-[(3-bromophenyl)methyl]imidazole;1-(3-bromobenzyl)imidazole;1-[(3-bromophenyl)methyl]-1H-imidazole;CHEMBL598391;1H-Imidazole,1-[(3-bromophenyl)methyl]-;D07JMO;SCHEMBL1848631;DTXSID00436926;BGYZLOIBJCHCTI-UHFFFAOYSA-N;BDBM50307216;MFCD08271919;AKOS013124377;MS-22438;PD178901;CS-0322563;FT-0708606;1-(3-bromobenzyl)-1H-imidazole, AldrichCPR;EN300-8058979;J-503102

Chemical Property of 1-(3-Bromobenzyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 62 °C
• Boiling Point: 371.455°C at 760 mmHg
• Flash Point: 178.45°C
• PSA: 17.82000
• Density: 1.441g/cm³
• LogP: 2.69390
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 235.99491
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Bromobenzyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CN2C=CN=C2

Technology Process of 1-(3-Bromobenzyl)-1H-imidazole

There total 3 articles about 1-(3-Bromobenzyl)-1H-imidazole 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: 81.0%

1H-imidazole (288-32-4) + meta-bromobenzyl bromide (823-78-9) → 1-(3-bromobenzyl)-1H-imidazole (72459-47-3)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1016/j.bmc.2004.02.007

Reference yield:

meta-bromotoluene (591-17-3) → 1-(3-bromobenzyl)-1H-imidazole (72459-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / dichloromethane

2: N,N-dimethyl-formamide / 0.17 h / 180 °C / Microwave irradiation

With N-Bromosuccinimide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm400012e

Reference yield:

→ 1-(3-bromobenzyl)-1H-imidazole (72459-47-3)

Guidance literature:

1-Brom-3-brommethylbenzol, Imidazol/t-BuOK;

upstream raw materials:

1H-imidazole

meta-bromobenzyl bromide

meta-bromotoluene

Downstream raw materials:

C₁₇H₁₆N₄O₂

C₁₇H₁₇N₃O

C₁₈H₁₇ClN₂O

C₂₂H₁₈N₂O