Lucio Martínez, FátimaMunín Cruz, PaulaReigosa Chamorro, FranciscoFernández Figueiras, AdolfoPolo Ces, Paula MaríaPereira Lorenzo, María TeresaVila Abad, José Manuel2021-04-122021-04-122016Lucio-Martínez, F., Munín, P., Reigosa, F., Fernández-Figueiras, A., Polo-Ces, P., Pereira, M.T. & Vila, J.M. (2016). Design and Synthesis of Crown Ether Thiosemicarbazones. In J.A. Seijas, M.P. Vázquez Tato & S.K. Lin. (Ed.), Proceedings ECSOC-20: The 20Th International Electronic Conference On Synthetic Organic Chemistry: November 1-30, 2016. MDPI. doi: 10.3390/ecsoc-20-e013978-3-03842-192-4http://hdl.handle.net/10347/25747The 20th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryThiosemicarbazones 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 analysiseng© 2016 by MDPI, Basel, Switzerland. Open AccessDFTCrown EthersThiosemicarbazonesbook part10.3390/ecsoc-20-e013open access