2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tribenzonitrile

Base Information

• Chemical Name: 2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tribenzonitrile
• CAS No.: 6876-33-1
• Molecular Formula: C24H12N6
• Molecular Weight: 384.399
• European Community (EC) Number: 614-721-9
• DSSTox Substance ID: DTXSID20505926
• Nikkaji Number: J1.141.726D
• Wikidata: Q82361378
• Mol file: 6876-33-1.mol

Synonyms:6876-33-1;SCHEMBL2478854;2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tribenzonitrile;DTXSID20505926;2,4,6-tris(2-cyanophenyl)-1,3,5-triazine

Chemical Property of 2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tribenzonitrile

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 384.11234441
• Heavy Atom Count: 30
• Complexity: 625

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=NC(=NC(=N2)C3=CC=CC=C3C#N)C4=CC=CC=C4C#N

Technology Process of 2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tribenzonitrile

There total 5 articles about 2,2',2''-(1,3,5-Triazine-2,4,6-triyl)tribenzonitrile 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: 75.9%

phthalonitrile (91-15-6) → 2,4,6-tris(o-cyanophenyl)-1,3,5-triazine (6876-33-1)

Guidance literature:

With C₁₇H₃₀N₄O₆S₂⁽²⁺⁾*2HO₄S^(1-); In 1-methyl-pyrrolidin-2-one; at 200 ℃; for 8h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.cclet.2016.12.019

Reference yield:

phthalonitrile (91-15-6) → 2,4,6-tris(o-cyanophenyl)-1,3,5-triazine (6876-33-1) + magnesium phthalocyanine (1661-03-6)

Guidance literature:

With magnesium; at 210 - 230 ℃; for 44h; Thermolysis;

DOI:10.3891/acta.chem.scand.53-0602

Reference yield:

phthalonitrile (91-15-6) → C24H14N6O + 2,4,6-tris(o-cyanophenyl)-1,3,5-triazine (6876-33-1)

Guidance literature:

With zinc(II) chloride; In 1-methyl-pyrrolidin-2-one; at 200 ℃; for 8h; Reagent/catalyst;

DOI:10.1039/c5ra17234a

upstream raw materials:

phthalonitrile

Refernces

• 1、 Ross,Fineman. "-". . p. 3302. Retrieved 1950.
• 2、 Janczak, Jan,Kubiak, Ryszard. "Tris(2-cyanophenyl)-1,3,5-triazine: A by-product of metallophthalocyanine synthesis". . p. 602 - 610. Retrieved 2007/10/03.