4-(2-Bromophenyl)-1H-imidazole

Base Information

• Chemical Name: 4-(2-Bromophenyl)-1H-imidazole
• CAS No.: 450415-78-8
• Molecular Formula: C9H7 Br N2
• Molecular Weight: 223.072
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40473552
• Mol file: 450415-78-8.mol

Synonyms:4-(2-BROMOPHENYL)-1H-IMIDAZOLE;450415-78-8;5-(2-bromophenyl)-1H-imidazole;SCHEMBL3859261;DTXSID40473552;FELOTSCACKQLHT-UHFFFAOYSA-N;4-(2-bromo-phenyl)-1H-imidazole;MFCD08236774;AKOS005172651;AKOS037643973;AB43982;AS-43589;BB 0262821;FT-0683276;4-(2-Bromophenyl)-1H-imidazole, AldrichCPR;EN300-1911794

Chemical Property of 4-(2-Bromophenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.65E-06mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 408.4°C at 760 mmHg
• Flash Point: 200.8°C
• PSA: 28.68000
• Density: 1.565g/cm³
• LogP: 2.83920
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 221.97926
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

5-(2-Bromophenyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CN=CN2)Br

Technology Process of 4-(2-Bromophenyl)-1H-imidazole

There total 2 articles about 4-(2-Bromophenyl)-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-bromophenyl methyl ketone (2142-69-0) → 4-(2-bromophenyl)-1H-imidazole (450415-78-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: B(OMe)3 / methanol / 0.75 h / 20 °C

1.2: Br₂ / methanol / 1 h / 23 - 27 °C

1.3: H₂O / methanol / 0.67 h / Heating

2.1: 14 h / 145 °C

With Trimethyl borate; In methanol;

DOI:10.1021/jm030303e

Reference yield:

2,2'-dibromoacetophenone (49851-55-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-(2-bromophenyl)-1H-imidazole (450415-78-8)

Guidance literature:

at 145 ℃; for 14h;

DOI:10.1021/jm030303e

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(2-bromophenyl)-1H-imidazole (450415-78-8) → C14H15BrN2O2 (1241977-52-5)

Guidance literature:

With dmap; triethylamine; In acetonitrile; at 0 - 20 ℃; for 14h;

DOI:10.1016/j.tetasy.2010.05.027

upstream raw materials:

2,2'-dibromoacetophenone

formamide

2-bromophenyl methyl ketone

Downstream raw materials:

4-(2-bromophenyl)-1-trityl-1H-imidazole

2-(1-trityl-1H-imidazol-4-yl)benzonitrile

C₁₄H₁₅BrN₂O₂