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Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones
Abstract
The neutral phosphorus nucleophiles such as R2P(=Y)M allowed the radical addition to 2-methyl-5,8-dioxo-5,8-dihydroquinoline-7-amine and N-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)acetamide giving exclusively O-phosphorylated products. All products were quantitatively prepared and characterized by microanalysis, and multinuclear NMR spectroscopy. Seven of them, have been characterized by single crystal X-ray diffraction method. The geometries of the studied compounds were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional.Neutralne fosforowe nukleofile takie jak: R2P(=Y)M pozwalają na rodnikową addycję do 2-metylo-5,8-dioxo-5,8-dihydrochinoliny-7-aminy i N-(2-metylo-5,8-dioxo-5,8-dihydrochinoliny-7-yl)acetamidu dając wyłącznie O-fosforylowane produkty. Wszystkie otrzymane związki były poddane badaniu poprzez mikroanalizę, NMR. Część z nich uzyskano w postaci monokryształów i zmierzono przy pomocy rentgenowskiej analizy strukturalnej. Dodatkowo geometria uzyskanych związków była optymalizowana przy pomocy metod obliczeniowych DFT.
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- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
JOURNAL OF MOLECULAR STRUCTURE
no. 986,
pages 39 - 48,
ISSN: 0022-2860 - Language:
- English
- Publication year:
- 2011
- Bibliographic description:
- Nycz J., Malecki G., Ponikiewski Ł., Leboschka M., Nowak M., Kusz J.: Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones// JOURNAL OF MOLECULAR STRUCTURE. -Vol. 986, nr. iss. 1-3 (2011), s.39-48
- Verified by:
- Gdańsk University of Technology
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