1-benzyl-5-bromo-1H-imidazole

Base Information

• Chemical Name: 1-benzyl-5-bromo-1H-imidazole
• CAS No.: 132430-59-2
• Molecular Formula: C10H9BrN2
• Molecular Weight: 237
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70563950
• Wikidata: Q82448490
• Mol file: 132430-59-2.mol

Synonyms:1-benzyl-5-bromo-1H-imidazole;132430-59-2;1-benzyl-5-bromoimidazole;1H-Imidazole, 5-bromo-1-(phenylmethyl)-;SCHEMBL23130914;DTXSID70563950;MFCD19688638;AKOS016014500;AM86508;DS-2935;CS-0156307;N10277;A888295;J-504304

Chemical Property of 1-benzyl-5-bromo-1H-imidazole

Chemical Property:

• Melting Point: 76-78 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 366.1±17.0 °C(Predicted)
• PKA: 5.03±0.13(Predicted)
• PSA: 17.82000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 2.69390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 235.99491
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-5-bromo-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC=C2Br

Technology Process of 1-benzyl-5-bromo-1H-imidazole

There total 2 articles about 1-benzyl-5-bromo-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: 68.0%

4-bromo-1 H-imidazole (2302-25-2) + benzyl bromide (100-39-0) → 1-benzyl-4-bromo-1H-imidazole (106848-38-8) + 5-bromo-1-benzyl-1H-imidazole (132430-59-2)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 22h;

DOI:10.1002/anie.201304188

Reference yield: 59.0%

4-bromo-1 H-imidazole (2302-25-2) + benzyl chloride (100-44-7) → 1-benzyl-4-bromo-1H-imidazole (106848-38-8) + 5-bromo-1-benzyl-1H-imidazole (132430-59-2)

Guidance literature:

With potassium tert-butylate; tetrabutylammomium bromide;

DOI:10.1016/j.bmcl.2007.04.075

Reference yield: 6.0%

5-bromo-1-benzyl-1H-imidazole (132430-59-2) + 2,3-dichlorobenzeneboronic acid (151169-74-3) → C16H12Cl2N2

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride; In 1,2-dimethoxyethane; ethanol; water; for 0.166667h; microwave irradiation;

DOI:10.1016/j.bmcl.2007.04.075

upstream raw materials:

4-bromo-1 H-imidazole

benzyl chloride

benzyl bromide

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