1,2-Benzenediamine, 4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-YL]-

Base Information

• Chemical Name: 1,2-Benzenediamine, 4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-YL]-
• CAS No.: 23491-49-8
• Molecular Formula: C18H22N6
• Molecular Weight: 322.413
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID601154951
• Nikkaji Number: J1.222.409E
• Mol file: 23491-49-8.mol

Synonyms:23491-49-8;1,2-BENZENEDIAMINE, 4-[6-(4-METHYL-1-PIPERAZINYL)-1H-BENZIMIDAZOL-2-YL]-;4-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)benzene-1,2-diamine;4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine;SCHEMBL933054;DTXSID601154951;4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1,2-Benzenediamine;FT-0752566;2-(3,4-diaminophenyl)-6-(4-methyl-1-piperazinyl)benzimidazole;1,2-BenzenediaMine,4-[6-(4-Methyl-1-piperazinyl)-1H-benziMidazol-2-yl]-;2-amino-4-[6-(4-methylpiperazin-1-yl)-1h-benz-imidazol-2-yl]phenylamine;4-[6-(4-Methylpiperazino)-1H-benzimidazole-2-yl]benzene-1,2-diamine

Chemical Property of 1,2-Benzenediamine, 4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-YL]-

Chemical Property:

• PSA: 87.20000
• LogP: 3.31140
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 322.19059473
• Heavy Atom Count: 24
• Complexity: 424

Purity/Quality:

99% ^*data from raw 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=CC(=C(C=C4)N)N

Technology Process of 1,2-Benzenediamine, 4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-YL]-

There total 28 articles about 1,2-Benzenediamine, 4-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-YL]- 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: 100.0%

4-[5'-(4'-methylpiperazin-1'-yl)benzimidazol-2'-yl]-2-nitroaniline (23623-05-4) → 4-<5'-(4''-methylpiperazin-1''-yl)benzimidazol-2'-yl>benzene-1,2-diamine (23491-49-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃;

DOI:10.1021/jm500427n

Reference yield: 88.0%

4-[5'-(4'-methylpiperazin-1'-yl)benzimidazol-2'-yl]-2-nitroaniline (23623-05-4) → 2-amino-4-<5'-(4''-methylpiperazin-1''-yl)benzimidazol-2'-yl>aniline (23491-49-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 14h; under 3620.13 Torr;

Reference yield: 82.0%

4-<5'-(4''-methylpiperazin-1''-yl)benzimidazol-2'-yl>-2-nitroaniline (23623-05-4) → 4-<5'-(4''-methylpiperazin-1''-yl)benzimidazol-2'-yl>benzene-1,2-diamine (23491-49-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; Ambient temperature;

DOI:10.1071/C98148

upstream raw materials:

4-<5'-(4''-methylpiperazin-1''-yl)benzimidazol-2'-yl>-2-nitroaniline

1-methyl-piperazine

5-chloro-2-nitroaniline

4-cyano-2-nitrotrifluoroacetanilide

Downstream raw materials:

4-dimethylamino-1-<5'-<5''-(4'''-methylpiperazin-1'''-yl)benzimidazol-2''-yl>benzimidazol-2'-yl>benzene

5-(4-methylpiperazin-1-yl)-2'-(3-nitrophenyl)-2,5'-bi-1H-benzimidazole

4-nitro-1-<5'-<5''-(4'''-methylpiperazin-1'''-yl)benzimidazol-2''-yl>benzimidazol-2'-yl>benzene

2,2,2-Trifluoro-N-(2-{4-[5-(4-methyl-piperazin-1-yl)-1H,1'H-[2,5']bibenzoimidazolyl-2'-yl]-phenoxy}-ethyl)-acetamide