Browsing Artículos by Author "Lete, Esther"
Now showing items 1-20 of 26
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Amide-Directed Intramolecular Co(III)-Catalyzed C-H Hydroarylation of Alkenes for the Synthesis of Dihydrobenzofurans with a Quaternary Center
Carral Menoyo, Asier; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (American Chemical Society, 2020-07-17)The first example of Cp*Co(III)-catalyzed intramolecular hydroarylation of allyl aryl ethers using an amide directing group for the preparation of 3,3-disubstituted dihydrobenzofurans in high yields is described. The ... -
Carbopalladation/Suzuki Coupling Cascade for the Generation of Quaternary Centers. Access to Pyrrolo[1,2-b]isoquinolines
Barbolla Cuadrado, Iratxe; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (American Chemical Society, 2019-07-29)A convergent route to pyrrolo[1,2-b]isoquinolines with a quaternary center at C-10 has been developed, that implies a sequential Pd(0)-catalyzed carbopalladation followed by cross-coupling reaction with boronic acids. ... -
Chiral Bronsted Acid-Catalyzed Enantioselective alpha-Amidoalkylation Reactions: A Joint Experimental and Predictive Study,
Aranzamendi Uruburu, Eider; Arrasate Gil, Sonia; Sotomayor Anduiza, María Nuria; González Díaz, Humberto; Lete Expósito, María Esther (Wiley VCH, 2016-12)Enamides with a free NH group have been evaluated as nucleophiles in chiral Bronsted acid-catalyzed enantioselective alpha-amidoalkylation reactions of bicyclic hydroxylactams for the generation of quaternary stereocenters. ... -
Cp*Co(III)-Catalyzed C−H Hydroarylation of Alkynes and Alkenes and Beyond: A Versatile Synthetic Tool
Carral Menoyo, Asier; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (ACS, 2020-09-15)The use of earth-abundant first-row transition metals, such as cobalt, in C−H activation reactions for the construction and functionalization of a wide variety of structures has become a central topic in synthetic ... -
Directed C- H Allylation of Aromatic Carboxamides with Allyl Aryl Ethers under Cp*Co(III)-Catalysis
Carral Menoyo, Asier; Barbolla Cuardrado, Iratxe; Santiago Alvarez, Carlos; Espinel, Martín; Sotomayor Anduiza, María Nuria; Gómez Bengoa, Enrique; Lete Expósito, María Esther (Wiley-VCH, 2023-11-20)The Cp*Co(III) C−H allylation of (hetero)arenes with allyl aryl ethers has been developed using an amide as directing group (24 examples). DFT calculations have shed light on the mechanistic course and reactivity pattern, ... -
Generation of Tertiary and Quaternary Stereocenters via Palladium-Catalyzed Intramolecular Heck-type Reactions for the Stereocontrolled Synthesis of Pyrrolo[1,2-b]isoquinolines
Rebolledo Azcargorta, Ane; Coya Díaz de Sarralde, Estibaliz; Barbolla Cuadrado, Iratxe; Lete Expósito, María Esther; Sotomayor Anduiza, María Nuria (Wiley, 2016-04-05)The generation of quaternary and tertiary stereocenters on C-10 of the pyrroloisoquinoline skeleton through intramolecular Mizoroki-Heck reactions of 2-alkenyl substituted pyrroles and pyrrolidines has been studied. The ... -
Identification of Riluzole Derivatives as Novel Calmodulin Inhibitors with Neuroprotective Activity by a joint synthesis, biosensor, and computational guided strategy
Baltasar Marchueta, Maider; Llona, Leire; Alicante Martínez, Sara; Barbolla Cuadrado, Iratxe; García Ibarlucea, Markel; Ramis Cortés, Rafael; Salomon, Ane Miren; Fundora Ortiz, Brenda; Araujo Lombraña, Ariane; Muguruza Montero, Arantza; Núñez Viadero, Eider ; Pérez Olea, Scarlett; Villanueva, Christian; Leonardo Liceranzu, Aritz; Arrasate Gil, Sonia; Sotomayor Anduiza, María Nuria; Villarroel, Alvaro; Bergara Jauregui, Aitor; Lete Expósito, María Esther; González Díaz, Humberto (Elsevier, 2024-04-17)The development of new molecules for the treatment of calmodulin related cardiovascular or neurodegenerative diseases is an interesting goal. In this work, we introduce a novel strategy with four main steps: (1) chemical ... -
Inter- and intramolecular enantioselective carbolithiation reactions
Gómez San Juan, Asier; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (Beilstein Institut, 2013-02)In this review we summarize recent developments in inter- and intramolecular enantioselective carbolithiation reactions carried out in the presence of a chiral ligand for lithium, such as (-)-sparteine, to promote facial ... -
Intramolecular Addition of Heteroaryllithiums onto Activated Alkenes. Access to Heterofused Indolizines and Pyrroloazepines
Rebolledo Azcargorta, Ane; Coya Díaz de Sarralde, Estibaliz; Panaite, Ana María; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (Wiley, 2017-02-23)Heteroaryllithiums, obtained via MesLi mediated halogen- lithium exchange, undergo intramolecular addition onto acrylamide and acrylate moieties. Both electron rich (thiophenyl) and electron deficient (pyridinyl, quinolinyl) ... -
Intramolecular Palladium(II)-catalyzed 6-endo C-H alkenylation directed by the remote N-protecting group. Mechanistic insight and application to the synthesis of dihydroquinolines
Carral Menoyo, Asier; Sotorríos Manrique, Lia; Ortiz de Elguea Flecha, Verónica; Díaz Andrés, Aitor; Sotomayor Anduiza, María Nuria; Gómez Bengoa, Enrique; Lete Expósito, María Esther (American Chemical Society, 2019-12-30)A protocol for the Pd(II)-catalyzed C-H alkenylation reaction of substituted N-allylanilines via an unusual 6-endo process has been developed. A DFT study of the mechanistic pathway has shown that the coordination of the ... -
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products
Carracedo Reboredo, Paula; Aranzamendi Uruburu, Eider; He, Shan; Arrasate Gil, Sonia; Munteanu, Cristian R.; Fernández Lozano, Carlos; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (BMC, 2024-01-23)The enantioselective Brønsted acid-catalyzed α-amidoalkylation reaction is a useful procedure is for the production of new drugs and natural products. In this context, Chiral Phosphoric Acid (CPA) catalysts are versatile ... -
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry
Carracedo Reboredo, Paula; Corona, Ramiro; Martínez Nunes, Mikel ; Fernández Lozano, Carlos; Tsiliki, Georgia; Sarimveis, Haralambos; Aranzamendi Uruburu, Eider; Arrasate Gil, Sonia; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther; Munteanu, Cristian R.; González Díaz, Humberto (Bentham Science, 2020)Cheminformatics models are able to predict different outputs (activity, property, chemical reactivity) in single molecules or complex molecular systems (catalyzed organic synthesis, metabolic reactions, nanoparticles, ... -
Microwave-assisted Palladium catalysed C-H acylation with aldehydes. Synthesis and diversification of 3-acylthiophenes
Santiago Alvarez, Carlos; Jiménez de Aberásturi González, Xabier; Leicea, Eztizen; Lete, Marta G.; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (Royal Society of Chemistry, 2021-12-22)The use of MW allows the efficient palladium(II)-catalysed C-3 acylation of thiophenes with aldehydes via C(sp2)-H activation for the synthesis of (cyclo)alkyl/aryl thienyl ketones (43 examples). Compared to standard thermal ... -
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks
Nocedo Mena, Deyani; Cornelio, Carlos; Camacho Corona, María del Rayo; Garza González, Elvira; Waksman de Torres, Noemi; Arrasate Gil, Sonia; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther; González Díaz, Humberto (American Chemical Society, 2019-02-25)Predicting the activity of new chemical compounds over pathogenic microorganisms with different metabolic reaction networks (MRNs) is an important goal due to the different susceptibility to antibiotics. The ChEMBL database ... -
Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa
Nocedo Mena, Deyani; Arrasate Gil, Sonia; Garza González, Elvira; Rivas Galindo, Verónica M.; Romo-Mancillas, Antonio; Munteanu, Cristian R.; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther; Barbolla Cuadrado, Iratxe; Martín Plágaro, César Augusto; Camacho Corona, María del Rayo (Elsevier, 2021-02-18)The developing of antibacterial resistance is becoming in crisis. In this sense, natural products play a fundamental role in the discovery of antibacterial agents with diverse mechanisms of action. Phytochemical investigation ... -
Palladium(II)-catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes
Carral Menoyo, Asier; Misol, Alexander; Gómez Redondo, Marcos; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (American Chemical Society, 2019-01-14)The intramolecular Pd(II)-catalyzed alkenylation of aryl homoallyl ethers constitutes a mild, versatile, and efficient procedure for the synthesis of highly and diversely substituted chromanes, and 2H-chromenes. The use ... -
Palladium-catalysed Heck-type alkenylation reactions in the synthesis of quinolines. Mechanistic insights and recent applications
Carral Menoyo, Asier; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (Royal Society of Chemistry, 2020-05-18)Quinoline and quinolone cores are present in a wide variety of pharmaceuticals, agrochemicals and materials, as well in ligands/catalysts in asymmetric synthesis. Transition-metal catalysed based approaches have played a ... -
Palladium-Catalyzed Dehydrogenative Coupling: An Efficient Synthetic Strategy for the Construction of the Quinoline Core
Carral Menoyo, Asier; Ortiz de Elguea Flecha, Verónica; Martínez Nunes, Mikel ; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (MDPI, 2017-09)Palladium-catalyzed dehydrogenative coupling is an efficient synthetic strategy for the construction of quinoline scaffolds, a privileged structure and prevalent motif in many natural and biologically active products, in ... -
Palladium-Catalyzed Oxidative Arene C-H Alkenylation Reactions Involving Olefins
Carral Menoyo, Asier; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (Cell Pres - Elsevier, 2022-06-01)The Palladium-catalyzed selective C-H alkenylation reaction has been established as a central synthetic transformation to enable the construction of carbon–carbon bonds in an efficient, atom-economical, and environmentally ... -
Pd(II)-Catalyzed C-H Acylation of (Hetero)arenes. Recent Advances
Santiago Alvarez, Carlos; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (MDPI, 2020-07-16)Di(hetero)aryl ketones are important motifs present in natural products, pharmaceuticals or agrochemicals. In recent years, Pd(II)-catalyzed acylation of (hetero)arenes in the presence of an oxidant has emerged as a catalytic ...