2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine Chemical Properties

Melting point:

174.0 to 178.0 °C

Boiling point:

583.6±52.0 °C(Predicted)

Density 

1.381

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to crystal

pka

0.65±0.10(Predicted)

color 

White to Almost white

InChI

InChI=1S/C21H14BrN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H

InChIKey

HNZUKQQNZRMNGS-UHFFFAOYSA-N

SMILES

N1=C(C2=CC=CC=C2)N=C(C2=CC=CC=C2)N=C1C1=CC=CC(Br)=C1

Safety Information

HS Code 

29339900

2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine Usage And Synthesis

Uses

2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine is a useful research chemical.

Chemical Properties

white powder

Uses

As an organic intermediate, 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine can be used to synthesize nitrogen-containing organic compounds. In pharmaceutical chemistry, it can be used to synthesize biologically active compounds such as bactericides, antiviral drugs, etc. In materials science, it can be used as a synthetic intermediate for liquid crystal materials and optoelectronic materials.

Application

2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine (BPTPT) is a white powder that is insoluble in water. It has a variety of applications in organic synthesis, most commonly as an intermediate in the synthesis of other compounds.

Synthesis

A compound, 2-chloro-4,6-diphenyl-1,3,5-triazine (50 g, 187 mmol, TCI) was dissolved in THF (1 L) under a nitrogen environment, (3-bromophenyl)boronic acid (45 g, 224.12 mmol) and tetrakis(triphenylphosphine)palladium (2.1 g, 1.87 mmol) were added thereto, and the mixture was stirred. Potassium carbonate saturated in water (64 g, 467 mmol) was added thereto, and the obtained mixture was heated and refluxed at 80° C. for 12 hours. When the reaction was complete, water was added to the reaction solution, and the mixture was extracted with dichloromethane (DCM) and then filtered after removing moisture with anhydrous MgSO4 and concentrated under a reduced pressure. The obtained residue was separated and purified through column chromatography to obtain 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine (69 g, 95 percent).

References

[1] Patent: EP2808323, 2014, A1. Location in patent: Paragraph 0100-0101
[2] Journal of Materials Chemistry C, 2018, vol. 6, # 34, p. 9049 - 9054

2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine(864377-31-1)Related Product Information

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