4-Bromo-2-ethyl-1H-imidazole

Base Information

• Chemical Name: 4-Bromo-2-ethyl-1H-imidazole
• CAS No.: 145575-91-3
• Molecular Formula: C5H7 Br N2
• Molecular Weight: 175.028
• European Community (EC) Number: 847-030-8
• DSSTox Substance ID: DTXSID60473711
• Wikidata: Q82303301
• Mol file: 145575-91-3.mol

Synonyms:4-Bromo-2-ethyl-1H-imidazole;145575-91-3;2-ETHYL-4-BROMOIMIDAZOLE;1H-Imidazole, 5-bromo-2-ethyl-;5-bromo-2-ethyl-1H-imidazole;4-Bromo-2-ethylimidazole;SCHEMBL5216842;DTXSID60473711;ABGRZMXSFGWOOF-UHFFFAOYSA-N;MFCD09033085;AKOS006329627;AT15316;LS-11862;EN300-755164;A906439

Chemical Property of 4-Bromo-2-ethyl-1H-imidazole

Chemical Property:

• PSA: 28.68000
• LogP: 1.73460
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.97926
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

99%min ^*data from raw suppliers

4-Bromo-2-ethyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC=C(N1)Br

Technology Process of 4-Bromo-2-ethyl-1H-imidazole

There total 2 articles about 4-Bromo-2-ethyl-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:

2-Ethylimidazole (1072-62-4) → 4(5)-bromo-2-ethyl-1H-imidazole (145575-91-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / ethanol / 3 h / Ambient temperature

2: Na₂SO₃, aq. NaOH / ethanol / 18 h / Heating

With sodium hydroxide; bromine; sodium sulfite; In ethanol;

DOI:10.1080/00397919208021123

Reference yield:

4,5-dibromo-2-ethyl-1H-imidazole (4002-82-8) → 4(5)-bromo-2-ethyl-1H-imidazole (145575-91-3)

Guidance literature:

With sodium hydroxide; sodium sulfite; In ethanol; for 18h; Yield given; Heating;

DOI:10.1080/00397919208021123

Reference yield: 81.0%

4(5)-bromo-2-ethyl-1H-imidazole (145575-91-3) + 4-fluoro-3-methylphenyl boronic acid (139911-27-6) → 2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazole

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; toluene; at 100 ℃; Inert atmosphere;

upstream raw materials:

4,5-dibromo-2-ethyl-1H-imidazole

2-Ethylimidazole

Refernces

• 1、 -. "IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF". . . Retrieved 2008/06/13.