| Identification | Back Directory | [Name]
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine | [CAS]
864377-31-1 | [Synonyms]
2,(3-bromophenyl)-4,6-dipheny-1,3,5-triazine
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
1,3,5- Triazine, 2-(3-bromopheny)-4,6-dipheny-
1,3,5-Triazine, 2-(3-bromophenyl)-4,6-diphenyl-
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine >
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine,>98% | [Molecular Formula]
C21H14BrN3 | [MDL Number]
MFCD22200060 | [MOL File]
864377-31-1.mol | [Molecular Weight]
388.26 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
white powder | [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 |
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