79388-06-0Relevant academic research and scientific papers
Convenient Synthesis of New Boric Acid Catalyzed 1,2,4-Triazolopyridinone Derivatives and an Investigation of their Optical Properties
Darehkordi, Ali,Hosseini, Maryam,Rahmani, Fariba
, p. 1306 - 1311 (2019)
Syntheses of fused heterobicyclic systems containing 1,2,4-triazolopyridinone moieties were accomplished by heterocyclization of 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitriles and ninhydrin in ethanol and in the presence of boric acid as a catalyst in 30?min at room temperature. All compounds have been screened for their photophysical properties. Results showed that all compounds exhibit near infrared emissions at 876?nm.
Pyrido triazin-nucleus synthesis and theoretical studies: 2,3,6-trioxo-8-aryl-1,3,4,6-tetrahydro-]2H[pyrido]1,2-b] [1,2,4[triazin-7,9-dicarbonitryl derivatives
Darehkordi, Ali,Mohammadi, Marziyeh,Nejadkhorasani, Farzaneh,Tahmasby, Maryam
, (2020/08/13)
An efficient method for the synthesis of potentially biologically [2H]-pyrido [1,2-b]1,2,4-triazines derivatives is described via reaction of 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives with oxalyl chloride in DMF in the presence of pyridine as a base. The intramolecular hydrogen bonding (IMHB) interactions have been investigated at M06-2X/6-311++G(d,p) level of theory. The eight compounds (5a-h) characterized by geometries and energies. The Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) were performed to explore the nature of the hydrogen-bonding interactions in these compounds. The IMHB formed between the C[dbnd]O and N[sbnd]H groups. The theoretical calculations showed that the IMHB strength increases in the presence of electron-donor substituents. An opposite behavior was observed for electron-acceptor substituents.
