2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine
• CAS No.: 1201800-83-0
• Molecular Formula: C39H27N3
• Molecular Weight: 537.663
• Nikkaji Number: J2.788.402D
• Mol file: 1201800-83-0.mol

Synonyms:1201800-83-0;2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine;2,4,6-Tri([1,1'-biphenyl]-3-yl)-1,3,5-triazine;T2T;2,4,6-Tris(1,1'-biphenyl)-1,3,5-Triazine;2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazin;SCHEMBL9927384;MFCD30470217;CS-0378828;T3997;2,4,6-Tris(3-biphenylyl)-1,3,5-triazine

Chemical Property of 2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine

Chemical Property:

• Melting Point: 208 °C
• Boiling Point: 810.7±75.0 °C(Predicted)
• PKA: 1.08±0.10(Predicted)
• PSA: 38.67000
• Density: 1.166±0.06 g/cm3(Predicted)
• LogP: 9.87360
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 537.220497874
• Heavy Atom Count: 42
• Complexity: 679

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC=CC=C7
• Description: 2,4,6-tris(biphenyl-3-yl)-1,3,5-triazine (T2T) is a family member of triazine. It has one electron-withdrawing triazine core and three electron-rich biphenyl groups. It has been widely used as a host material for phosphorescent OLEDs and electron transport layer material (ETL) for TADF-OLEDs.

Technology Process of 2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine

There total 2 articles about 2,4,6-Tris(biphenyl-3-yl)-1,3,5-triazine 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: 99.0%

2,4,6-tris(3-bromophenyl)-1,3,5-triazine (890148-78-4) + phenylboronic acid (98-80-6) → 2,4,6-tris(biphenyl-3-yl)-[1,3,5]triazine (1201800-83-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tri-tert-butyl phosphine; sodium carbonate; In toluene;

DOI:10.1039/b913423a

Reference yield: 70.0%

biphenyl-3-carbaldehyde (1204-60-0) + biphenyl-3-carboxamidine hydrochloric acid → 2,4,6-tris(biphenyl-3-yl)-[1,3,5]triazine (1201800-83-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In 1,4-dioxane; water; for 12h; Inert atmosphere; Reflux;

upstream raw materials:

2,4,6-tris(3-bromophenyl)-1,3,5-triazine

phenylboronic acid

biphenyl-3-carbaldehyde

Refernces

• 1、 Chen, Hsiao-Fan,Yang, Shang-Jung,Tsai, Zhen-Han,Hung, Wen-Yi,Wang, Ting-Chih,Wong, Ken-Tsung. "1,3,5-Triazine derivatives as new electron transport-type host materials for highly efficient green phosphorescent OLEDs". scheme or table. p. 8112 - 8118. Retrieved 2010/08/05.