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

Melting point:

200.0 to 204.0 °C

Boiling point:

573.9±52.0 °C(Predicted)

Density 

1.381

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

0.45±0.10(Predicted)

color 

White to Almost white

InChI

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

InChIKey

AYHGAQGOMUQMTR-UHFFFAOYSA-N

SMILES

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

Safety Information

HS Code 

29336990

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

Chemical Properties

white solid powder

Synthesis

The compound, 2-chloro-4,6-diphenyl-1,3,5-triazine (50 g, 187 mmol) was dissolved in THF (1 L) under a nitrogen environment, (4-bromophenyl)boronic acid (45 g, 224.12 mmol, Aldrich Corporation), 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. This obtained residue was separated and purified through flash column chromatography to obtain 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine (70 g and 96%).

References

[1] Patent: US2017/331067, 2017, A1. Location in patent: Paragraph 0260-0263
[2] Chemistry - An Asian Journal, 2016, vol. 11, # 6, p. 868 - 873
[3] Patent: KR2015/75169, 2015, A. Location in patent: Paragraph 0206-0209
[4] Patent: KR2015/59395, 2015, A. Location in patent: Paragraph 0162; 0163; 0164; 0165
[5] Patent: KR2015/88163, 2015, A. Location in patent: Paragraph 0342-0345

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