1h-Imidazo[1,2-a]benzimidazole

Base Information

• Chemical Name: 1h-Imidazo[1,2-a]benzimidazole
• CAS No.: 247-79-0
• Molecular Formula: C9H7N3
• Molecular Weight: 157.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80571541
• Nikkaji Number: J857.102C
• Wikidata: Q82459642
• Mol file: 247-79-0.mol

Synonyms:1h-imidazo[1,2-a]benzimidazole;247-79-0;4H-imidazo[1,2-a]benzimidazole;9h-imidazo[1,2-a]benzimidazole;1H-Imidazo[1,2-a]benzimidazole(8CI,9CI);imidazo[1,2-a]benzimidazole;SCHEMBL839863;DTXSID80571541

Chemical Property of 1h-Imidazo[1,2-a]benzimidazole

Chemical Property:

• PSA: 33.09000
• LogP: 1.81560
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.063997236
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

9H-Imidazo[1,2-a]benzimidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC3=NC=CN23

Technology Process of 1h-Imidazo[1,2-a]benzimidazole

There total 7 articles about 1h-Imidazo[1,2-a]benzimidazole 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: 35.0%

1-(2,2-diethoxyethyl)-1H-benzo[d]imidazol-2-amine → 9-Imidazo<1,2-a>benzimidazole (247-79-0)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 17h; Inert atmosphere;

Reference yield: 12.0%

1-(2-azidophenyl)-1H-imidazole (192927-28-9) → 9-Imidazo<1,2-a>benzimidazole (247-79-0)

Guidance literature:

at 500 ℃; under 0.0001 Torr;

DOI:10.1039/a700457e

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 9-Imidazo<1,2-a>benzimidazole (247-79-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 92 percent / K₂CO₃, CuO, pyridine / 16 h / Heating

2: 99 percent / H₂ / 10percent Pd/C / ethanol / 4 h / 2280 Torr / Ambient temperature

3: 1.) 35percent aq. HCl, NaNO₂, 2.) aq. NaN₃, CH₃COONa / 1.) 0 deg C, 2.) r.t., 30 min

4: 12 percent / 500 °C / 0 Torr

With pyridine; hydrogenchloride; sodium azide; hydrogen; sodium acetate; potassium carbonate; copper(II) oxide; sodium nitrite; palladium on activated charcoal; In ethanol;

DOI:10.1039/a700457e

upstream raw materials:

1-(2-azidophenyl)-1H-imidazole

ortho-nitrofluorobenzene

1-(2-aminophenyl)imidazole

1-(2-nitrophenyl)-1H-imidazole

Downstream raw materials:

C₁₅H₁₀BrN₃

C₁₅H₁₀BrN₃