Thiosemicarbazones are well known compounds that show antitumoral and antibacterial proprieties[1] ; while crown ether moiety acts as ion sensor to entrap cations size-selectively from the environment, implied in the production of sensors, membrane ion transport or potential anti-cancerous species, among others[2]. The combination of both functions into the same molecule should increase their unique applications.
Herein we report on the synthesis of a molecule that combines both functions. The main aspect is that the study has being performed beginning with the design of the compound using DFT calculations, with the package of programs g09[3], after which follows the final synthesis and characterization using 1H NMR, IR and crystallographic analysis.
Acknowledgments
We wish to thank the financial support received from the Xunta de Galica (Galicia, Spain) under the Grupos de Referencia Competitiva Programme Projects GRC2015/009. F.Lucio thanks the Spanish Ministry of Education (grant FPU13/05014).
References
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[2] (2) (a) C Preihs, D. Magda, J. Sessler J. Porphyrins and Phthalocyanines, 2011, 15, 539. (b) Z. Sun, M. Barboiu, Y-M Legrand, E. Petit, A. Rotaru, Angew. Chem. Int. Ed. 2015, 54, 14473
[3] M. J. Frisch et al. Gaussian 09, Revision D.01; Gaussian, Inc., Wallingford CT, 2013.
