1-Benzyl-2-bromo-1H-imidazole

Base Information

• Chemical Name: 1-Benzyl-2-bromo-1H-imidazole
• CAS No.: 235426-32-1
• Molecular Formula: C10H9BrN2
• Molecular Weight: 237.099
• DSSTox Substance ID: DTXSID901288109
• Nikkaji Number: J1.101.978A
• Mol file: 235426-32-1.mol

Synonyms:1-Benzyl-2-bromo-1H-imidazole;235426-32-1;1-BENZYL-2-BROMOIMIDAZOLE;SCHEMBL19925275;DTXSID901288109;MFCD11868106;AKOS005136403;2-Bromo-1-(phenylmethyl)-1H-imidazole;AS-49978;O10375

Chemical Property of 1-Benzyl-2-bromo-1H-imidazole

Chemical Property:

• Boiling Point: 373.4±35.0 °C(Predicted)
• PKA: 3.61±0.31(Predicted)
• PSA: 17.82000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 2.69390
• 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-2-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=CN=C2Br

Technology Process of 1-Benzyl-2-bromo-1H-imidazole

There total 2 articles about 1-Benzyl-2-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: 84.0%

2-bromo-1H-imidazole (16681-56-4,151223-74-4) + benzyl bromide (100-39-0) → 1-benzyl-2-bromo-1H-imidazole (235426-32-1)

Guidance literature:

2-bromo-1H-imidazole; With sodium hydride; In tetrahydrofuran; for 1h; Heating;

benzyl bromide; In tetrahydrofuran; for 3h; Heating;

DOI:10.1039/b512729g

Reference yield: 49.0%

1-benzylimidazole (4238-71-5) → 1-benzyl-2-bromo-1H-imidazole (235426-32-1)

Guidance literature:

1-benzylimidazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

With N-Bromosuccinimide; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/poc.3784

Reference yield: 95.0%

1-benzyl-2-bromo-1H-imidazole (235426-32-1) → 1-benzylimidazole (4238-71-5)

Guidance literature:

With sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; palladium diacetate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/jo3019335

upstream raw materials:

1-benzylimidazole

2-bromo-1H-imidazole

benzyl bromide

Downstream raw materials:

1-benzylimidazole

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