3842-53-3

Basic information

• Product Name: 4-chloro-6-phenyl-1,3,5-triazin-2-amine
• Synonyms: 4-Chloro-6-phenyl-1,3,5-triazin-2-amine;2-Amino-4-chloro-6-phenyl-1,3,5-triazine;2-Amino-4-Chloro-6-Phenyl-1,3,5-Triazine(WXC01052)
• CAS NO: 3842-53-3
• Molecular Formula: C₉H₇ClN₄
• Molecular Weight: 206.6317
• Mol File: 3842-53-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 212-216°C
• Boiling Point: 460°C at 760 mmHg
• Flash Point: 232°C
• Density: 1.39g/cm³
• Vapor Pressure: 1.21E-08mmHg at 25°C
• Refractive Index: 1.65
• CAS DataBase Reference: 4-chloro-6-phenyl-1,3,5-triazin-2-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-6-phenyl-1,3,5-triazin-2-amine(3842-53-3)
• EPA Substance Registry System: 4-chloro-6-phenyl-1,3,5-triazin-2-amine(3842-53-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 3842-53-3(Hazardous Substances Data)

Usage

General Description

4-chloro-6-phenyl-1,3,5-triazin-2-amine is a chemical compound with the molecular formula C9H7ClN4. It is a triazine compound that contains a chlorine atom, a phenyl group, and an amine group attached to a triazine ring. 4-chloro-6-phenyl-1,3,5-triazin-2-amine is commonly used as a synthetic intermediate in the production of pharmaceuticals, pesticides, and other organic compounds. It has potential applications in the field of medicinal chemistry and drug development due to its ability to interact with biological systems. Its chemical structure and properties make it an important building block for the synthesis of various organic compounds and functional materials.

Upstream product

• 127099-85-8 N-Cyanoguanidine 
• 100-58-3 phenylmagnesium bromide 
• 1700-02-3 2,4-dichloro-6-phenyl-1,3,5-triazine 
• 933-20-0 4,6-dichloro-1,3,5-triazin-2-amine 
• 611-74-5 N,N-dimethylbenzamide 

Downstream Products

• 1426925-58-7 C₂₁H₁₄N₄O 
• 30369-74-5 4-amino-6-phenyl-1,3,5-triazine-2-thiol 

Relevant articles and documents

Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A2AReceptor

In this study, we determined the crystal structure of an engineered human adenosine A2A receptor bound to a partial agonist and compared it to structures cocrystallized with either a full agonist or an antagonist/inverse agonist. The interaction between the partial agonist, belonging to a class of dicyanopyridines, and amino acids in the ligand binding pocket inspired us to develop a small library of derivatives and assess their affinity in radioligand binding studies and potency and intrinsic activity in a functional, label-free, intact cell assay. It appeared that some of the derivatives retained the partial agonist profile, whereas other ligands turned into inverse agonists. We rationalized this remarkable behavior with additional computational docking studies.

The Synthesis of Alkyl- and Aryl-Substituted 1,3,5-Triazines

The reaction of chloromethyleneiminium salts with N-cyanoamidines provides a new and versatile route to alkyl- and aryl-substituted 1,3,5-triazines.Variation of substituents in the starting materials allows the synthesis of monoaryl-, diaryl-, alkyl-aryl- and certain mono- and di-alkyl-1,3,5-triazines bearing a variety of other substituents including hydrogen, chlorine and O-, S- and N-radicals.The generally good yields, ready availability of starting materials, and the scope and facility of the reaction make it the method of choice for the synthesis of 1,3,5-triazines with these substitution patterns.