2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
[CAS# 1689576-03-1]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Triazines
• Name: 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine
• Synonyms: 2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• Molecular Formula: C₂₁H₁₄ClN₃
• Molecular Weight: 343.81
• CAS Registry Number: 1689576-03-1
• EC Number: 841-754-8
• SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)Cl

Properties

• Solubility: Insoluble (2.9E^-5 g/L) (25 ºC), Calc.^*
• Density: 1.241±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2016 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2	H319
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302

Discovory and Applicatios

2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine, also known as 2-(3-biphenyl)-4-chloro-6-phenyl-1,3,5-triazine, is a notable compound in the class of triazines, distinguished by its unique chemical structure and versatile applications. This compound has garnered significant interest due to its distinctive properties and the potential it offers in various scientific and industrial fields.

The discovery of 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine is a result of ongoing research into triazine derivatives. Triazines are known for their stable heterocyclic ring structures, which make them valuable in a variety of chemical reactions and applications. The specific structural modifications in this compound, such as the introduction of biphenyl and chloro groups, were strategically designed to enhance its chemical reactivity and stability.

The molecule features a six-membered triazine ring with three nitrogen atoms and three carbon atoms, which is substituted at the 2, 4, and 6 positions. The biphenyl group at the 2-position provides rigidity and a planar structure to the molecule, which affects its interaction with other chemical entities. The chloro substituent at the 4-position introduces an electron-withdrawing effect, making the compound more reactive in certain chemical processes. The phenyl group at the 6-position adds additional stability and contributes to the overall electronic characteristics of the molecule.

One of the primary applications of 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine is in organic synthesis. Its reactivity allows it to participate in various coupling reactions, where the triazine ring can engage in nucleophilic aromatic substitutions. This property makes it a valuable intermediate for synthesizing more complex molecules. The ability to modify the triazine ring with different functional groups enables the creation of derivatives with specific properties suited for diverse applications.

In material science, the compound's planar and rigid structure renders it suitable for incorporation into advanced materials. It can be used to create polymers with high thermal stability and enhanced mechanical properties. Additionally, its electronic characteristics make it a candidate for organic semiconductor applications. The conjugated system within the triazine ring can contribute to the electronic performance of materials used in electronic devices and photovoltaic systems.

Pharmaceutical applications of 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine are also of significant interest. Research has indicated that triazine derivatives can exhibit a range of biological activities, including antimicrobial, anti-inflammatory, and anticancer effects. The compound's ability to interact with biological targets and its potential for further modification make it a promising candidate for developing new therapeutic agents.

The synthesis of 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine typically involves multi-step processes starting from simpler precursors. Common methods include the reaction of substituted cyanuric chloride derivatives with phenylamines. These reactions require careful control of conditions to ensure the formation of the desired triazine derivative. Post-synthesis steps often involve functionalization or purification to obtain the final product in high yield and purity.

In summary, 2-([1,1'-Biphenyl]-3-yl)-4-chloro-6-phenyl-1,3,5-triazine is a compound of considerable interest due to its unique chemical structure and wide range of applications. Its role in organic synthesis, material science, and pharmaceuticals highlights its versatility and potential for further research and development.