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Sinteza i karakterizacija novih 2, 6-diaminoadamantanskih soli pomoću NMR i rentgenske strukturne analize


Šekutor, Marina; Mlinarić-Majerski, Kata; Glaser, Robert
Sinteza i karakterizacija novih 2, 6-diaminoadamantanskih soli pomoću NMR i rentgenske strukturne analize // XXII. HRVATSKI SKUP KEMIČARA I KEMIJSKIH INŽENJERA
Zagreb, Hrvatska, 2011. (poster, međunarodna recenzija, sažetak, znanstveni)


Naslov
Sinteza i karakterizacija novih 2, 6-diaminoadamantanskih soli pomoću NMR i rentgenske strukturne analize
(Synthesis, NMR and single crystal X-ray crystallographic characterization of novel 2, 6-diaminoadamantane salts)

Autori
Šekutor, Marina ; Mlinarić-Majerski, Kata ; Glaser, Robert

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

Izvornik
XXII. HRVATSKI SKUP KEMIČARA I KEMIJSKIH INŽENJERA / - Zagreb, Hrvatska, 2011

Skup
XXII. HRVATSKI SKUP KEMIČARA I KEMIJSKIH INŽENJERA

Mjesto i datum
Zagreb, Hrvatska, 13-16.02.2011

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Adamantane-2; 6-diammonium salts; adamantane-2; 6-dione; X-ray

Sažetak
The synthesis of amines and their derivatives has been of interest for quite some time because of their use as therapeutics. There has also been considerable attention paid to adamantane amines due to their possible biological activity, in particular as potential antiviral agents.[1] Until now a large number of adamantane amines have been synthesized but, to the best of our knowledge, no adamantyldiamino-derivatives substituted at positions 2 and 6 were synthesized or studied. Adamantane-2, 6-diammonium salts 2-4 were prepared from adamantane-2, 6-dione [2] by reduction of the corresponding dioxime 1 [3] to the diamine dihydrochloride 2a which was the starting material for the synthesis of all the other salts that were investigated. An extensive repertoire of 1D/2D NMR experiments enabled complete 1H and 13C assignments in the spectra of salts 2-4 that was consistent with their C2-symmetry axial-chirality geometries. Salt 3 crystallized as a 2.5 hydrate with inversion pseudosymmetry between two molecules of opposite handedness in the asymmetric unit of a P-1 racemic compound crystal. A high fidelity for the crystallographic inversion pseudosymmetry measure rmS(i) [4] was found for the approximate inversion relationship between the two almost enantiomeric molecules in the asymmetric unit.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982933-2911 - Kavezasti spojevi: ugradbene jedinice u molekularnim sustavima (Kata Majerski, )

Ustanove
Institut "Ruđer Bošković", Zagreb