BPy-TP2
[CAS# 1394813-58-1]

Identification

• Classification: Pharmaceutical intermediate >> OLED material intermediate
• Name: BPy-TP2
• Synonyms: 2-pyridin-2-yl-5-[7-(6-pyridin-2-ylpyridin-3-yl)-3,12-dihydrotriphenylen-2-yl]pyridine
• Molecular Formula: C₃₈H₂₆N₄
• Molecular Weight: 538.64
• CAS Registry Number: 1394813-58-1
• SMILES: C1C=CC=C2C1=C3C=C(CC=C3C4=C2C=C(C=C4)C5=CN=C(C=C5)C6=CC=CC=N6)C7=CN=C(C=C7)C8=CC=CC=N8

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.733, Calc.^*
• Boiling Point: 819.5±60.0 ºC (760 mmHg), Calc.^*
• Flash Point: 349.6±25.8 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Discovory and Applicatios

BPy-TP2 (2,2'-bipyridine-based triphenylphosphine oxide) is a specialized chemical compound that has garnered attention in the field of coordination chemistry and material science due to its unique structure and potential applications in catalysis, photovoltaics, and other electronic materials. This substance consists of a bipyridine moiety, a well-known ligand in coordination chemistry, linked to a triphenylphosphine oxide group. The presence of both the bipyridine and phosphine oxide functionalities provides BPy-TP2 with distinct electronic properties that make it an interesting candidate for various technological applications.

The discovery of BPy-TP2 is rooted in the ongoing quest for efficient and stable ligands for metal catalysis and organic electronics. Bipyridine-based ligands have been widely studied for their ability to coordinate with transition metals, forming stable complexes with favorable electronic properties. The triphenylphosphine oxide group, in turn, contributes to the overall stability of the complex and enhances its ability to interact with metal centers, making BPy-TP2 a promising ligand in catalysis and material science. The chemical structure of BPy-TP2 allows it to exhibit both donor and acceptor characteristics, making it versatile for various applications that require electronic modulation.

One of the primary applications of BPy-TP2 is in the field of catalysis. Metal complexes of bipyridine derivatives are well-known for their use in a wide range of catalytic processes, including cross-coupling reactions, hydrogenation, and polymerization. The presence of the triphenylphosphine oxide group in BPy-TP2 enhances the ligand's stability, allowing it to form robust complexes with metal ions. This stability is crucial for catalytic reactions that require high temperatures or harsh chemical environments. Furthermore, the electronic properties of the bipyridine and phosphine oxide groups can be tuned, making BPy-TP2 suitable for selective catalysis and facilitating reactions with a variety of substrates.

In the realm of organic electronics, BPy-TP2 has been investigated for its potential use in organic photovoltaic (OPV) devices and organic light-emitting diodes (OLEDs). The bipyridine unit is known for its electron-donating properties, which can contribute to the charge-transporting properties of materials in electronic devices. Additionally, the triphenylphosphine oxide group can improve the material's interaction with metal oxide surfaces, enhancing the stability and efficiency of the devices. BPy-TP2's structure also suggests potential applications in light-harvesting systems and other optoelectronic devices, where its ability to interact with metal centers could be leveraged for better charge injection or extraction.

The use of BPy-TP2 in molecular electronics is another area of interest. The compound’s ability to coordinate with metal centers and form stable complexes makes it a candidate for molecular switches, sensors, and other nanoscale devices. The versatility of BPy-TP2 in tuning its electronic properties and its stability in complex environments make it a valuable material for the development of advanced molecular electronic systems.

Synthesis of BPy-TP2 typically involves the reaction of bipyridine derivatives with triphenylphosphine oxide. This synthetic approach allows for the incorporation of the triphenylphosphine oxide group, which is crucial for enhancing the stability and electronic properties of the final compound. The preparation of BPy-TP2 can be carried out using well-established methods of organic synthesis, including nucleophilic substitution or coupling reactions, which ensure the desired functionalization of the bipyridine core.

In conclusion, BPy-TP2 is a versatile compound with promising applications in catalysis, organic electronics, and molecular electronics. Its unique structure, combining bipyridine and triphenylphosphine oxide, allows for modulation of electronic properties, making it an attractive candidate for various high-performance materials and devices.