6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

Base Information

• Chemical Name: 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
• CAS No.: 23491-55-6
• Molecular Formula: C29H26N6
• Molecular Weight: 458.56
• DSSTox Substance ID: DTXSID70438078
• Nikkaji Number: J721.005A
• ChEMBL ID: CHEMBL177543
• Mol file: 23491-55-6.mol

Synonyms:23491-55-6;6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole;6-(4-Methylpiperazin-1-yl)-2'-(naphthalen-2-yl)-1H,3'H-2,5'-bibenzo[d]imidazole;CS-1316;CHEMBL177543;DTXSID70438078;YAA49155;HY-15628;MS-28393;PD101459;F77829;A912879;2'-(2-Naphthyl)-5-(4-methylpiperazin-1-yl)-2,6'-bi[1H-benzimidazole]

Chemical Property of 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

Chemical Property:

• Boiling Point: 766.3±70.0 °C(Predicted)
• PKA: 10.85±0.10(Predicted)
• PSA: 63.84000
• Density: 1.314±0.06 g/cm3(Predicted)
• LogP: 5.68110
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 458.22189485
• Heavy Atom Count: 35
• Complexity: 724

Purity/Quality:

98% ^*data from raw suppliers

Hoechst33258analog5 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC7=CC=CC=C7C=C6

Technology Process of 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

There total 8 articles about 6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-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: 18.0%

2-(naphth-2-yl)-5-formylbenzimidazole (174648-29-4) + 4-(4-methylpiperazino)-1,2-diaminobenzene (54998-08-2) → 2'-(naphth-2-yl)-5-(4-methylpiperazinyl)-2,5'-bi-1H-benzimidazole (23491-55-6)

Guidance literature:

In nitrobenzene; at 145 ℃;

DOI:10.1021/jm950412w

Reference yield:

1-methyl-piperazine (109-01-3) → 2'-(naphth-2-yl)-5-(4-methylpiperazinyl)-2,5'-bi-1H-benzimidazole (23491-55-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 78 percent / K₂CO₃ / dimethylformamide / 18 h / 120 °C

2: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 6 h / 2327.2 Torr

3: 18 percent / nitrobenzene / 145 °C

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethyl acetate; nitrobenzene; N,N-dimethyl-formamide;

DOI:10.1021/jm950412w

Reference yield:

5-chloro-2-nitroaniline (1635-61-6) → 2'-(naphth-2-yl)-5-(4-methylpiperazinyl)-2,5'-bi-1H-benzimidazole (23491-55-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 78 percent / K₂CO₃ / dimethylformamide / 18 h / 120 °C

2: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 6 h / 2327.2 Torr

3: 18 percent / nitrobenzene / 145 °C

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethyl acetate; nitrobenzene; N,N-dimethyl-formamide;

DOI:10.1021/jm950412w

upstream raw materials:

2-(naphth-2-yl)-5-formylbenzimidazole

4-(4-methylpiperazino)-1,2-diaminobenzene

1-methyl-piperazine

5-chloro-2-nitroaniline

Refernces