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Synthesis, spectroscopy and computational studies of selected hydroxyquinolines and their analogues.
Spectrochim Acta A Mol Biomol Spectrosc
; 117: 351-9, 2014 Jan 03.
Article
in English
| MEDLINE
| ID: mdl-24001976
ABSTRACT
Synthetic, spectroscopy and mechanistic aspects of preparation of selected hydroxyquinolines and their analogues or derivatives contained methoxy, fluoro, chloro, carboxylic, carbodithioic and phosphinate or dioxaphosphinane groups were elaborated. The multinuclear NMR and five single crystal X-ray characteristics of the series of quinolines have been determined. The molecular orbitals of the selected hydroxyquinolines have been calculated by density functional theory. The X-ray and NMR studies of 8-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-5,7-dibromo-2-methylquinoline and 8-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-5-fluoro-2-methylquinoline indicate the appearance of anomeric effect.