BiCAPPA

Base Information

• Chemical Name: BiCAPPA
• CAS No.: 119662-55-4
• Molecular Formula: C₃₈H₄₀Cl₂N₆O₂
• Molecular Weight: 683.681
• European Community (EC) Number: 634-247-6
• DSSTox Substance ID: DTXSID10431402
• Nikkaji Number: J1.381.051F
• Wikidata: Q82245260
• ChEMBL ID: CHEMBL92547
• Mol file: 119662-55-4.mol

Synonyms:BiCAPPA;119662-55-4;6-chloro-N-[3-[4-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]-2-methoxyacridin-9-amine;CHEMBL92547;SCHEMBL4954720;DTXSID10431402;BiCAPPA, >=97% (HPLC), solid;NCGC00165756-01;HY-138865;CS-0169662;9,9'-[Piperazine-1,4-diylbis(trimethyleneimino)]bis(6-chloro-2-methoxyacridine)

Chemical Property of BiCAPPA

Chemical Property:

• PSA: 81.24000
• LogP: 7.05480
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~10 mg/mL
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 682.2589799
• Heavy Atom Count: 48
• Complexity: 915

Purity/Quality:

97% ^*data from raw suppliers

BiCAPPA ≥97% (HPLC), solid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC

Technology Process of BiCAPPA

There total 2 articles about BiCAPPA 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:

1,4-bis(3-aminopropyl)piperazine (7209-38-3) + 6,9-dichloro-2-methoxyacridine (86-38-4) → N,N-bis(6-chloro-2-methoxy-9-acridinyl)-1,4-bis(3-aminopropyl)piperazine (119662-55-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; Heating;

DOI:10.1021/jm990946n

Reference yield:

1,4-bis(3-aminopropyl)piperazine (7209-38-3) + 6-chloro-2-methoxy-9-phenoxyacridine (7478-26-4) → N,N-bis(6-chloro-2-methoxy-9-acridinyl)-1,4-bis(3-aminopropyl)piperazine (119662-55-4)

Guidance literature:

at 100 ℃; for 0.5h;

DOI:10.1002/ardp.200900065

upstream raw materials:

1,4-bis(3-aminopropyl)piperazine

6,9-dichloro-2-methoxyacridine

6-chloro-2-methoxy-9-phenoxyacridine