(1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene

Base Information

• Chemical Name: (1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene
• CAS No.: 79403-78-4
• Molecular Formula: C32H28N4
• Molecular Weight: 468.601
• European Community (EC) Number: 687-056-5
• DSSTox Substance ID: DTXSID10524040
• Nikkaji Number: J1.877.824F
• Mol file: 79403-78-4.mol

Synonyms:79403-78-4;DTXSID10524040;(1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene;2,3,8,9-tetraphenyl-1,4,7,10-tetra-azacyclododeca-1,3,7,9-tetraene

Chemical Property of (1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 468.23139691
• Heavy Atom Count: 36
• Complexity: 662

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(C(=NCCN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of (1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene

There total 1 articles about (1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene 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: 84.0%

ethylenediamine (107-15-3,85404-18-8) + benzil (134-81-6) → 2,3,8,9‐tetraphenyl‐1,4,7,10‐tetraazacyclododeca‐1,3,7,9‐tetraene (79403-78-4)

Guidance literature:

In benzene; for 1h; Heating;

DOI:10.1021/je00036a042

Reference yield: 75.0%

cobalt(II) sulfate + 2,3,8,9‐tetraphenyl‐1,4,7,10‐tetraazacyclododeca‐1,3,7,9‐tetraene (79403-78-4) → [Co(2,3,8,9-tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene)(H2O)2]SO4 (195989-72-1)

Guidance literature:

In ethanol; mixing hot solns., refluxing (4 h); pptn. on cooling (overnight), filtration, washing (hot EtOH), drying (P4O10); elem. anal.;

DOI:10.1080/00945719708000249

Reference yield: 72.0%

iridium (III) chloride (10025-83-9) + 2,3,8,9‐tetraphenyl‐1,4,7,10‐tetraazacyclododeca‐1,3,7,9‐tetraene (79403-78-4) → [Ir(2,3,8,9-tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene)(Cl)2]Cl (191590-22-4)

Guidance literature:

In ethanol; addn. of hot soln. of metal salt to hot soln. of macrocycle, refluxing (4 h), cooling to room temp., pptn. on volume reduction; filtration, washing (hot EtOH), air drying; elem. anal.;

DOI:10.1080/00945719708000220

upstream raw materials:

ethylenediamine

benzil

Downstream raw materials:

[Cu(2,3,8,9‐tetraphenyl‐1,4,7,10‐tetraazacyclododeca‐1,3,7,9‐tetraene)Cl₂]

Cu(C₆H₅CNC₂H₄NCC₆H₅)2(CH₃COO)2

Cu(C₆H₅CNC₂H₄NCC₆H₅)2(ClO₄)2

Cu(C₆H₅CNC₂H₄NCC₆H₅)2I₂