Naslov
Sinteza, kristalna struktura i DFT računi novih 2-supstituiranih-1H-perimidina
(Synthesis, crystal structure and DFT calculations of novel 2-substituted-1H-perimidines)

Autori
Sović, Irena ; Pavlović, Gordana ; Papadopoulos, Anastasios ; Šišak, Dubravka ; Aleksić, Maja ; Karminski-Zamola, Grace

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Knjiga sažetaka / Hadžiev, Andrea ; Blažeković, Zdenko - Osijek : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2013, 142-142

ISBN
978-953-6894-50-5

Skup
23rd Croatian Meeting of Chemists and Chemical Engineers

Mjesto i datum
Osijek, Hrvatska, 21.04.2013. - 24.04.2013

Vrsta sudjelovanja
Poster

Vrsta recenzije
Domaća recenzija

Ključne riječi
2-supstituirani-1H-perimidini ; sinteza ; kristalna struktura ; DFT računi
(2-SUBSTITUTED-1H-PERIMIDINES ; SYNTHESIS ; CRYSTAL STRUCTURE ; DFT CALCULATIONS)

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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