2-(2-Bromoethyl)-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-(2-Bromoethyl)-1H-benzo[d]imidazole
• CAS No.: 4078-54-0
• Molecular Formula: C₉H₉BrN₂
• Molecular Weight: 225.088
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30515612
• Wikidata: Q72455402
• Mol file: 4078-54-0.mol

Synonyms:4078-54-0;2-(2-Bromoethyl)benzoimidazole;2-(2-Bromoethyl)-1H-benzo[d]imidazole;2-(2-bromoethyl)-1H-benzimidazole;2-(2-bromoethyl)-1H-1,3-benzodiazole;2-(2-Bromoethyl)benzimidazole HBr;DTXSID30515612;AKOS015918733;FT-0652386;F13303;EN300-1914560

Chemical Property of 2-(2-Bromoethyl)-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 2.66E-06mmHg at 25°C
• Refractive Index: 1.689
• Boiling Point: 401.8 °C at 760 mmHg
• Flash Point: 196.8 °C
• PSA: 28.68000
• Density: 1.595 g/cm³
• LogP: 2.50030
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.99491
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Bromoethyl)-1H-benzo[d]imidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)CCBr

Technology Process of 2-(2-Bromoethyl)-1H-benzo[d]imidazole

There total 4 articles about 2-(2-Bromoethyl)-1H-benzo[d]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:

3-Bromopropionic acid (590-92-1) + 1,2-diamino-benzene (95-54-5) → 2-(2-bromoethyl)-1H-benzo[d]imidazole (4078-54-0)

Guidance literature:

With hydrogenchloride; In water; for 6h; Reflux;

DOI:10.1016/j.ejmech.2016.02.015

Reference yield:

2-(2-ethoxy-ethyl)-1H-benzimidazole (51036-80-7) → 2-(2-bromoethyl)-1H-benzo[d]imidazole (4078-54-0)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01174a024

Reference yield:

1,2-diamino-benzene (95-54-5) → 2-(2-bromoethyl)-1H-benzo[d]imidazole (4078-54-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl

2: aqueous HBr

With hydrogenchloride; hydrogen bromide;

DOI:10.1021/ja01174a024

upstream raw materials:

2-(2-ethoxy-ethyl)-1H-benzimidazole

1,2-diamino-benzene

3-Bromopropionic acid

Refernces

• 1、 -. "Pyridine methylamino dithio formic acid heteroaryl naphthenic base ester compound and preparation method and application thereof". Paragraph 0097; 0098; 0099. . Retrieved 2017/01/02.