¹⁵N-Labelling and structure determination of adamantylated azolo-azines in solution.

ABSTRACT: Determining the accurate chemical structures of synthesized compounds is essential for biomedical studies and computer-assisted drug design. The unequivocal determination of N-adamantylation or N-arylation site(s) in nitrogen-rich heterocycles, characterized by a low density of hydrogen atoms, using NMR methods at natural isotopic abundance is difficult. In these compounds, the heterocyclic moiety is covalently attached to the carbon atom of the substituent group that has no bound hydrogen atoms, and the connection between the two moieties of the compound cannot always be established via conventional ¹H-¹H and ¹H-¹³C NMR correlation experiments (COSY and HMBC, respectively) or nuclear Overhauser effect spectroscopy (NOESY or ROESY). The selective

SUBMITTER: Deev SL 

PROVIDER: S-EPMC5727827 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature