Synthesis, crystal structure and DFT calculations of novel 2-substituted-1H-perimidines (CROSBI ID 596346)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | domaća recenzija
Podaci o odgovornosti
Sović, Irena ; Pavlović, Gordana ; Papadopoulos, Anastasios ; Šišak, Dubravka ; Aleksić, Maja ; Karminski-Zamola, Grace
engleski
Synthesis, crystal structure and DFT calculations of novel 2-substituted-1H-perimidines
Perimidines or 1H-perimidines represent an important class of heterocyclic compounds built up of a dihydropyrimidine ring peri-fused to a naphthalene moiety. In the past decades efficient synthetic methods for the preparation of perimidines are in focus of research [1, 2] as well as their targeted functionalizations to give rise to new multicomponent systems with interesting pharmaceutical properties: antifungal, antiulcer, antitumor or antimicrobial [3, 4]. Here we report synthesis of four 2-substituted perimidine derivatives. IR and NMR spectroscopic results, single-crystal X-ray structure analysis ((1H-perimidine-2-yl)-methanol) and powder X-ray structure analysis (2-cyanomethyl-perimidine) as well as DFT calculations are also reported. Perimidines exhibit 1, 3-annular tautomerism due to two possible hydrogen positions at one or the other endocyclic nitrogen atoms or both resulting in the imine or enamine forms.
2-SUBSTITUTED-1H-PERIMIDINES ; SYNTHESIS ; CRYSTAL STRUCTURE ; DFT CALCULATIONS
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Podaci o prilogu
142-142.
2013.
objavljeno
Podaci o matičnoj publikaciji
Knjiga sažetaka
Hadžiev, Andrea ; Blažeković, Zdenko
Osijek: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI)
978-953-6894-50-5
Podaci o skupu
23rd Croatian Meeting of Chemists and Chemical Engineers
poster
21.04.2013-24.04.2013
Osijek, Hrvatska