Bitpa

Base Information

• Chemical Name: Bitpa
• CAS No.: 3602-01-5
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.516
• NSC Number: 59503
• UNII: 9TE6AK2GEC
• DSSTox Substance ID: DTXSID90189590
• Nikkaji Number: J439.242F
• Wikidata: Q83061740
• ChEMBL ID: CHEMBL166101
• Mol file: 3602-01-5.mol

Synonyms:BITPA;HR 2197;4',4''-Di-2-imidazolin-2-ylterephthalanilide;NSC-59503;3602-01-5;Terephthalanilide, 4',4''-di-2-imidazolin-2-yl-;9TE6AK2GEC;CHEMBL166101;SLU-PP-192;SCHEMBL15329306;DTXSID90189590;NSC59503;NSC 59503;AI3-50640;Terephthalanilide,4''-bis(2-imidazolin-2-yl)-;1, N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-;1,4-Benzenedicarboxamide, N,N'-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-;1,4-Benzenedicarboxamide, N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-;N,N'-Bis[4-[(4,5-dihydro-1H-imidazol)-2-yl]phenyl]-1,4-benzenedicarboxamide;N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide

Chemical Property of Bitpa

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.36g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 452.19607403
• Heavy Atom Count: 34
• Complexity: 721

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5

Technology Process of Bitpa

There total 3 articles about Bitpa 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:

terephthaloyl chloride (100-20-9) → N1,N4-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)terephthalamide (3602-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / N,N-dimethyl acetamide / 48 h / 20 °C / Inert atmosphere

2: sodium hydrogen sulfide / N,N-dimethyl acetamide / 2 h / 120 °C

With dmap; sodium hydrogen sulfide; triethylamine; In N,N-dimethyl acetamide;

DOI:10.1016/j.bmcl.2013.12.064

Reference yield:

4-Aminobenzonitrile (873-74-5) → N1,N4-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)terephthalamide (3602-01-5)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / N,N-dimethyl acetamide / 48 h / 20 °C / Inert atmosphere

2: sodium hydrogen sulfide / N,N-dimethyl acetamide / 2 h / 120 °C

With dmap; sodium hydrogen sulfide; triethylamine; In N,N-dimethyl acetamide;

DOI:10.1016/j.bmcl.2013.12.064

Reference yield:

→ N1,N4-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)terephthalamide (3602-01-5)

Guidance literature:

Bisiminoether, Dinitril;

upstream raw materials:

terephthaloyl chloride

4-Aminobenzonitrile

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