71169 20221027132638.0 doi 10.1039/c7gc01583f sideral 102107 ART-2017-102107 eng Leal-Duaso, Alejandro (orcid)0000-0002-3256-2089 Synthesis of 3-alkoxypropan-1,2-diols from glycidol: experimental and theoretical studies for the optimization of the synthesis of glycerol derived solvents 2017 Access copy available to the general public Unrestricted A straightforward synthetic methodology has been derived for the synthesis of glycerol monoethers from glycidol and alcohols. Several homogeneous and heterogeneous basic catalysts have been tested, the best results being obtained with readily available and inexpensive alkaline metal hydroxides. In the best case, good yield of the desired monoether is obtained under smooth reaction conditions, always with total conversion of glycidol. The selectivity of the reactions mainly depends on the alcohol used, due to the concurrence of undesired side reactions. A mechanistic study carried out through computational DFT calculations, in which solvent effects are taken into account, also complemented the experiments, has allowed to identify the main reaction paths taking place under reaction conditions, giving insights into the main causes affecting the reaction selectivity and also into how it could be improved. info:eu-repo/grantAgreement/ES/DGA/E11 info:eu-repo/grantAgreement/ES/MINECO/CTQ2014-52367-R info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 8.586 2017 GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY 2 / 33 = 0.061 2017 Q1 T1 CHEMISTRY, MULTIDISCIPLINARY 21 / 171 = 0.123 2017 Q1 T1 2.496 2017 Pollution 2017 Q1 Environmental Chemistry 2017 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Caballero, M. Urriolabeitia, Asier (orcid)0000-0001-9352-6922 Mayoral Murillo, José Antonio Universidad de Zaragoza (orcid)0000-0003-1570-4257 García Laureiro, José Ignacio (orcid)0000-0003-1199-2087 Pires Ezquerra, María Elisabet Universidad de Zaragoza (orcid)0000-0002-2676-8814 2013 765 Universidad de Zaragoza Dpto. Química Orgánica Área Química Orgánica 19, 17 (2017), [10 pp.] Green chem. GREEN CHEMISTRY 1463-9262 1395973 http://zaguan.unizar.es/record/71169/files/texto_completo.pdf Postprint 118481 http://zaguan.unizar.es/record/71169/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:71169 articulos driver 2022-10-27-13:09:42 ARTICLE