first_page settings Order Article Reprints Font Type: Arial Georgia Verdana Font Size: Aa Aa Aa Line Spacing: Column Width: Background: Open AccessAbstract Nuclear Magnetic Resonance for the Structural Study of Bioactive Semicarbazones by H. Cerecetto 1, R. Di Maio 1, M. González 2,*, G. Seoane 1, G. Sagrera 2 and M. Millán 3 1 Cátedra de Química Orgánica, Facultad de Química, , Iguá S/N, Universidad de la República, Montevideo, Uruguay 2 Laboratorio de Química Orgánica, , Iguá S/N, Universidad de la República, Montevideo, Uruguay 3 Laboratorio de RMN, Facultad de Ciencias, Iguá S/N, Universidad de la República, Montevideo, Uruguay * Author to whom correspondence should be addressed. Molecules 2000, 5(3), 420-421; https://doi.org/10.3390/50300420 Published: 22 March 2000 Download Download PDF Download PDF with Cover Download XML Download Epub Versions Notes Abstract: NMR studies of bioactive semicarbazones are described. IntroductionWithin our work on the development of bioactive compounds, we have employed the semicarba-zone moiety as a joining function between different pharmacophores.Knowing the geometric isomer at the iminic union of the semicarbazone group, as well as the N-oxide positional isomer that was obtained in the synthetic procedure, were very important for deter-mining the structure of the biologically active compound. The lack of crystals to determine unequivo-cally the exact structure of the product obtained led us to use NMR spectroscopy for this purpose. ExperimentalAll the experiments were carried out on a DPX-Bruker 400 (400 y 100 MHz) instrument. We car-ried out NOE difference (1D y 2D) experiments at different mixing times in order to determine the geometric isomer of the iminic junction.We also carried out 1H-NMR and 13C-NMR experiments at variable temperatures and EXSY ex-periments in order to determine the N-oxide position. Results and DiscussionAll the semicarbazones studied were in the E isomeric form. The N-oxide moiety in the derivatives of the heterocycle 1,2,5-oxadiazoles was found fixed at the 2 position. The derivatives of the heterocy-cle benzo[1,2-c]1,2,5-oxadiazoles were presented as a mixture of the different positional isomers of the N-oxide function, at room temperature. Acknowledgements C.H.L.C.C., PEDECIBA.References and NotesPerrin, C.; Dwyer, T. Chem. Rev. 1990, 90, 935. Share and Cite MDPI and ACS Style Cerecetto, H.; Di Maio, R.; González, M.; Seoane, G.; Sagrera, G.; Millán, M. Nuclear Magnetic Resonance for the Structural Study of Bioactive Semicarbazones. Molecules 2000, 5, 420-421. https://doi.org/10.3390/50300420 AMA Style Cerecetto H, Di Maio R, González M, Seoane G, Sagrera G, Millán M. Nuclear Magnetic Resonance for the Structural Study of Bioactive Semicarbazones. Molecules. 2000; 5(3):420-421. https://doi.org/10.3390/50300420 Chicago/Turabian Style Cerecetto, H., R. Di Maio, M. González, G. Seoane, G. Sagrera, and M. Millán. 2000. "Nuclear Magnetic Resonance for the Structural Study of Bioactive Semicarbazones" Molecules 5, no. 3: 420-421. https://doi.org/10.3390/50300420 Find Other Styles Article Metrics No No Article Access Statistics For more information on the journal statistics, click here. Multiple requests from the same IP address are counted as one view.