Pibenzimol

Base Information

• Chemical Name: Pibenzimol
• CAS No.: 23491-44-3
• Deprecated CAS: 691353-97-6
• Molecular Formula: C25H24 N6 O
• Molecular Weight: 424.505
• European Community (EC) Number: 245-689-0
• UNII: LHQ7J5KV9B
• DSSTox Substance ID: DTXSID3066899
• Nikkaji Number: J221.633G
• Wikidata: Q27123162
• NCI Thesaurus Code: C546
• Metabolomics Workbench ID: 58081
• ChEMBL ID: CHEMBL301735
• Mol file: 23491-44-3.mol

Synonyms:4-(5-(4-Methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)phenol, trihydrochloride;Bisbenzimidazole;Bisbenzimidazole Trihydrochloride;Bisbenzimide;Hoe 33258;Hoe-33258;Hoe33258;Hoechst 33258;NSC 322921;NSC-322921;NSC322921;Pibenzimol

Chemical Property of Pibenzimol

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 314 °C
• Boiling Point: 643.1 °C at 760 mmHg
• PKA: 9.23±0.15(Predicted)
• Flash Point: 342.7 °C
• PSA: 84.07000
• Density: 1.337 g/cm³
• LogP: 4.23350
• Storage Temp.: −20°C
• Solubility.: H2O: 10 mg/mL
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 424.20115941
• Heavy Atom Count: 32
• Complexity: 634

Purity/Quality:

97% ^*data from raw suppliers

BIS-BENZIMIDE TRIHYDROCHLORIDE HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/38
• Safety Statements: 26-36

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=CC=C(C=C6)O

Technology Process of Pibenzimol

There total 1 articles about Pibenzimol 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:

→ p-{5-[5-(4-methylpiperazin-1-yl)benzimidazol-2-yl]benzimidazol-2-yl}phenol (23491-44-3)

Guidance literature:

Reference yield: 68.0%

p-{5-[5-(4-methylpiperazin-1-yl)benzimidazol-2-yl]benzimidazol-2-yl}phenol (23491-44-3) + Ethyl 4-bromobutyrate (2969-81-5) → ethyl Ho33258-O-butyrate (756470-95-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 12h;

DOI:10.1021/jm0200714

Reference yield: 51.0%

p-{5-[5-(4-methylpiperazin-1-yl)benzimidazol-2-yl]benzimidazol-2-yl}phenol (23491-44-3) + Methyl 4-bromobutyrate (4897-84-1) + trifluoroacetic acid (76-05-1) → C30H32N6O3*3C2HF3O2

Guidance literature:

p-{5-[5-(4-methylpiperazin-1-yl)benzimidazol-2-yl]benzimidazol-2-yl}phenol; Methyl 4-bromobutyrate; With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 14h; Inert atmosphere;

trifluoroacetic acid; In water; acetonitrile;

DOI:10.1002/adsc.201500050

Downstream raw materials:

monoiodoHoechst 33258

ethyl Ho₃₃₂₅₈-O-butyrate

Ho₃₃₂₅₈-O-butyric acid