2-Methyl-4h-pyrazolo[1,5-a]benzimidazole

Base Information

• Chemical Name: 2-Methyl-4h-pyrazolo[1,5-a]benzimidazole
• CAS No.: 22501-82-2
• Molecular Formula: C10H9 N3
• Molecular Weight: 171.202
• European Community (EC) Number: 245-041-7
• DSSTox Substance ID: DTXSID70945171
• Nikkaji Number: J286.226C,J3.596.564E
• Wikidata: Q82922432
• Mol file: 22501-82-2.mol

Synonyms:22501-82-2;2-methyl-4h-pyrazolo[1,5-a]benzimidazole;2-methyl-1h-pyrazolo[1,5-a]benzimidazole;2-Methyl-4H-benzo[4,5]imidazo[1,2-b]pyrazole;2-Methyl-4H-pyrazolo(1,5-a)benzimidazole;EINECS 245-041-7;SCHEMBL2564712;SCHEMBL8798438;DTXSID70945171;ZOTKUMAGJQDASQ-UHFFFAOYSA-N;2-Methylpyrazolo[1,5-a]benzimidazole;AKOS024385412

Chemical Property of 2-Methyl-4h-pyrazolo[1,5-a]benzimidazole

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 33.09000
• Density: 1.34g/cm³
• LogP: 2.12400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 171.079647300
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

2-methyl-4H-Pyrazolo[1,5-a]benzimidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=NC3=CC=CC=C3N2N1

Technology Process of 2-Methyl-4h-pyrazolo[1,5-a]benzimidazole

There total 7 articles about 2-Methyl-4h-pyrazolo[1,5-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: 96.0%

2-methyl-4-acetyl-4H-pyrazolo<1.5-a>benzimidazole (53745-42-9) → 2-methyl-4H-pyrazolo<1.5-a>benzimidazole (22501-82-2)

Guidance literature:

With hydrogenchloride; In ethanol; for 0.5h; Heating;

DOI:10.1021/jo00001a017

Reference yield: 67.0%

5(3)-(2-bromoanilino)-3(5)-methyl-1H-pyrazole (1185994-12-0) → 2-methyl-4H-pyrazolo<1.5-a>benzimidazole (22501-82-2)

Guidance literature:

With copper(l) iodide; sodium hydride; L-proline; In N,N-dimethyl-formamide; at 90 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo901309t

Reference yield:

(2-nitrophenyl)hydrazine (3034-19-3) → 2-methyl-4H-pyrazolo<1.5-a>benzimidazole (22501-82-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / conc. HCl / methanol / Heating

2: H₂ / PtO₂ / acetic acid / 20 °C

3: acetic acid / 3 h / Heating

With hydrogenchloride; hydrogen; acetic acid; platinum(IV) oxide; In methanol; acetic acid;

upstream raw materials:

2-methyl-4-acetyl-4H-pyrazolo<1.5-a>benzimidazole

(2-nitrophenyl)hydrazine

ethyl acetoacetate 2-nitrophenylhydrazone

ZIN⁽⁴⁷⁷⁾C₀₀₉₁₂

Refernces

• 1、 Romano, Claudia,Cuesta, Elena de la,Avendano, Carmen. "Ring Concentration of 1,2,4-Triazepinobenzimidazol-4-ones. New Fused β-Lactams". . p. 74 - 78. Retrieved 2007/10/02.