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Application of statistical tools in catalysis for understanding and predicting organic reactions


In this research project we will explore the methodological development and mechanistic studies of organic reactions, using a set of physical organic chemistry tools, including multi-dimensional predictive models. To this end, we will investigate new physical-chemical descriptors for understanding, prediction and design of metal catalysts. We intend to explore the enantioselective synthesis of 2-Isoxazolines and cyclopentenes, in reactions catalyzed by chiral palladium catalysts. Another subproject seeks to explore the valorization of biomass applying homogeneous by depolymerization reactions of lignins using Co(salen) catalysts. (AU)

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Scientific publications (10)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
BARBOZA, AMANDA A.; CHIAVEGATTI NETO, ATTILIO; ROSSET, ISAC G.; JARDIM, GUILHERME A. M.; FERREIRA, MARCO A. B.. Synthesis of 3-Carbonyl Trisubstituted Furans via Pd-Catalyzed Aerobic Cycloisomerization Reaction: Development and Mechanistic Studies. Journal of Organic Chemistry, v. 86, n. 5, p. 3923-3942, . (14/50249-8, 20/10246-0, 20/01255-6)
ALVES, TANIA M. F.; JARDIM, GUILHERME A. M.; FERREIRA, MARCO A. B.. A green metal-free ``one-pot{''} microwave assisted synthesis of 1,4-dihydrochromene triazoles. RSC ADVANCES, v. 11, n. 17, p. 10336-10339, . (14/50249-8, 20/01255-6, 20/10246-0)
CHIAVEGATTI NETO, ATTILIO; SOARES, KELLY CINTRA; SANTOS, MAIARA DA SILVA; AIMOLA, TULIO JARDINI; FERREIRA, ANTONIO GILBERTO; JARDIM, GUILHERME A. M.; TORMENA, CLAUDIO FRANCISCO; PAIXAO, MARCIO WEBER; BARBOSA FERREIRA, MARCO ANTONIO. Mechanistic investigation of enolate/stabilized vinylogous carbanion-mediated organocatalytic azide (3+2) cycloaddition reactions for the synthesis of 1,2,3-triazoles. ORGANIC & BIOMOLECULAR CHEMISTRY, v. N/A, p. 8-pg., . (14/15839-9, 18/01211-9, 20/10246-0, 14/50249-8, 20/01255-6, 16/24726-9, 20/13563-7)
FERNANDES, VITOR A.; LIMA, RAFAELY N.; BROTERSON, YOISEL B.; KAWAMURA, MEIRE Y.; ECHEMENDIA, RADELL; DE LA TORRE, ALEXANDER F.; FERREIRA, MARCO A. B.; RIVERA, DANIEL G.; PAIXAO, MARCIO W.. Direct access to tetrasubstituted cyclopentenyl scaffolds through a diastereoselective isocyanide-based multicomponent reaction. CHEMICAL SCIENCE, v. 12, n. 48, . (15/17141-1, 17/01754-0, 14/50249-8, 20/01255-6, 20/10246-0, 19/01973-9)
JARDIM, GUILHERME A. M.; DANTAS, JULIANA A.; BARBOZA, AMANDA A.; PAIXAO, MARCIO W.; FERREIRA, MARCO A. B.. Light-Driven Palladium-Radical Hybrid Species: Mechanistic Aspects and Recent Examples. SYNTHESIS-STUTTGART, v. 54, n. 21, p. 17-pg., . (20/10246-0, 20/01255-6, 21/06099-5)
ALVES, TANIA M. F.; JARDIM, GUILHERME A. M.; FERREIRA, MARCO A. B.. A green metal-free "one-pot" microwave assisted synthesis of 1,4-dihydrochromene triazoles. RSC ADVANCES, v. 11, n. 17, p. 4-pg., . (14/50249-8, 20/10246-0, 20/01255-6)
KAWAMURA, MEIRE Y.; ALEGRE-REQUENA, JUAN, V; BARBOSA, THAIS M.; TORMENA, CLAUDIO F.; PATON, ROBERT S.; FERREIRA, MARCO A. B.. Mechanistic Aspects on [3+2] Cycloaddition (32CA) Reactions of Azides to Nitroolefins: A Computational and Kinetic Study. CHEMISTRY-A EUROPEAN JOURNAL, v. 28, n. 69, p. 9-pg., . (17/01754-0, 20/10246-0, 20/01255-6)
BARBOZA, AMANDA A.; DANTAS, JULIANA A.; JARDIM, GUILHERME A. M.; NETO, ATTILIO C.; OLIVEIRA, WILLIAN X. C.; GENSCH, TOBIAS; FERREIRA, MARCO A. B.. Synthesis of Dihydropyrazoles via Pd-Catalyzed Heterocyclization/Carbonylation Reaction: Development and Parameterization Studies. CHEMCATCHEM, v. 14, n. 20, p. 5-pg., . (20/01255-6, 20/10246-0, 20/13563-7)
BARBOZA, AMANDA ALINE; DANTAS, JULIANA ARANTES; COSTA, MATEUS OLIVEIRA; CHIAVEGATTI, ATTILIO; DE MELO JARDIM, GUILHERME AUGUSTO; BARBOSA FERREIRA, MARCO ANTONIO. Recent Advances in Palladium-Catalyzed Oxidative Couplings in the Synthesis/Functionalization of Cyclic Scaffolds Using Molecular Oxygen as the Sole Oxidant. SYNTHESIS-STUTTGART, v. 54, n. 09, p. 22-pg., . (14/50249-8, 20/10246-0, 20/01255-6)
DANTAS, JULIANA A.; ECHEMENDIA, RADELL; SANTOS, MARILIA S.; PAIXAO, MARCIO W.; FERREIRA, MARCO ANTONIO B.; CORREA, ARLENE G.. Green Approach for Visible-Light-Induced Direct Functionalization of 2-Methylquinolines. Journal of Organic Chemistry, v. 85, n. 18, p. 16-pg., . (13/07600-3, 20/01255-6, 15/08541-6, 14/50249-8, 17/03120-8)

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