Search Results - "Claramunt, Rosa M"

Theoretical and Spectroscopic Characterization of API-Related Azoles in Solution and in Solid State by Marín-Luna, Marta, Claramunt, Rosa M, Elguero, José, Alkorta, Ibon

“…Azoles are a family of five-membered azacyclic compounds with relevant biological and pharmacological activity. Different subclasses of azoles are defined…”
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19F‐NMR Diastereotopic Signals in Two N-CHF2 Derivatives of (4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole by García-Pérez, Diana, López, Concepción, Claramunt, Rosa, Alkorta, Ibon, Elguero, José

“…In this paper, we report the anisochrony of the fluorine atoms of a CHF2 group when linked to a pyrazole ring. The pyrazole is part of…”
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An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism by Nieto, Carla I, Cabildo, Pilar, García, M Ángeles, Claramunt, Rosa M, Alkorta, Ibon, Elguero, José

“…This paper reports the (1)H, (13)C and (15)N NMR experimental study of five benzimidazoles in solution and in the solid state ((13)C and (15)N CPMAS NMR) as…”
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An Example of Polynomial Expansion: The Reaction of 3(5)-Methyl-1H-Pyrazole with Chloroform and Characterization of the Four Isomers by Silva, Vera, Silva, Artur, Claramunt, Rosa, Sanz, Dionisia, Infantes, Lourdes, Martínez-López, Ángela, Reviriego, Felipe, Alkorta, Ibon, Elguero, José

“…The reaction in phase-transfer catalyzed conditions of 3(5)-methyl-1H-pyrazole with chloroform affords four isomers 333, 335, 355 and 555 in proportions…”
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Evaluation of the Antioxidant and Neuroprotectant Activities of New Asymmetrical 1,3-Diketones by Nieto, Carla I, Cornago, María Pilar, Cabildo, María Pilar, Sanz, Dionisia, Claramunt, Rosa M, Torralba, María Carmen, Torres, María Rosario, Martínez Casanova, Diana, Sánchez-Alegre, Yaiza Rebeca, Escudero, Esther, Lavandera, José Luis

“…A series of fourteen new asymmetrical 1,3-diketone derivatives have been synthesized and evaluated in the ABTS, FRAP and DPPH assays as a new chemotype with…”
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Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles by Pérez-Torralba, Marta, García, M. Ángeles, López, Concepción, Torralba, M. Carmen, Torres, M. Rosario, Claramunt, Rosa M, Elguero, José

“…The structures of five fluorinated benzimidazoles and one intermediate (an open double amide) have been determined by X-ray crystallography. In the analysis of…”
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Fluorination Effects on NOS Inhibitory Activity of Pyrazoles Related to Curcumin by Nieto, Carla I, Cabildo, María Pilar, Cornago, María Pilar, Sanz, Dionisia, Claramunt, Rosa M, Torralba, María Carmen, Torres, María Rosario, Elguero, José, García, José A, López, Ana, Acuña-Castroviejo, Darío

“…A series of new (E)-3(5)-[β-(aryl)-ethenyl]-5(3)-phenyl-1H-pyrazoles bearing fluorine atoms at different positions of the aryl group have been synthesized…”
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1,5-Benzodiazepin-2(3H)-ones: In Vitro Evaluation as Antiparkinsonian Agents by Ortíz de Zárate, Ana, Pérez-Torralba, Marta, Bonet Isidro, Iñigo, López, Concepción, Claramunt, Rosa M., Martínez-Casanova, Diana, Sánchez-Vera, Isabel, Jiménez-González, Jesús, Lavandera, José Luis

“…A new series of twenty-three 1,5-benzodiazepin-2(3H)-ones were synthesized and evaluated in the 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS),…”
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Regiospecific Synthesis and Structural Studies of 3,5-Dihydro‑4H‑pyrido[2,3‑b][1,4]diazepin-4-ones and Comparison with 1,3-Dihydro‑2H‑benzo[b][1,4]diazepin-2-ones by Núñez Alonso, David, Pérez-Torralba, Marta, Claramunt, Rosa M, Torralba, M. Carmen, Delgado-Martínez, Patricia, Alkorta, Ibon, Elguero, José, Roussel, Christian

“…Nine 3,5-dihydro-4H-pyrido­[2,3-b]­[1,4]­diazepin-4-ones (17–25), some of which contain fluoro-substituents, have been regiospecifically prepared by reaction…”
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The structure of glibenclamide in the solid state by Sanz, Dionisia, Claramunt, Rosa M., Alkorta, Ibon, Sánchez-Sanz, Goar, Elguero, José

“…The structure of glibenclamide, 5‐chloro‐N‐(2‐{4‐[(cyclohexylamino)carbonyl] aminosulfonyl}phenyl) ethyl)‐2‐methoxybenzamide, an important antidiabetic drug,…”
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Conformational aspects of polymorphs and phases of 2-propyl-1H-benzimidazole by Zuniga, Fco. Javier, Cruz-Cabeza, Aurora J, Aretxabaleta, Xabier M, Pinta, Noelia de la, Breczewski, Tomasz, Quesada-Moreno, Maria Mar, Aviles-Moreno, Juan Ramon, Lopez-Gonzalez, Juan Jesus, Claramunt, Rosa M, Elguero, Jose

“…This paper reports on the polymorphism of 2-propyl-1H-benzimidazole (2PrBzIm) induced by temperature change. Upon heating, an irreversible reconstructive-type…”
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Addition reaction of azoles to acetone‐d6: NMR and computational studies by Claramunt, Rosa M., Sanz, Dionisia, Alkorta, Ibon, Elguero, José

“…The reactivity of imidazole, pyrazole, 1,2,4‐triazole, 1,2,3‐triazole, and tetrazole with acetone (propan‐2‐one) has been studied by 1H and 13C NMR using…”
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A Facile Method to Determine the Absolute Structure of Achiral Molecules: Supramolecular-Tilt Structures by Tejedor, Rosa María, Uriel, Santiago, Graus, Sara, Sierra, Teresa, Serrano, José Luis, Claramunt, Rosa M., López, Concepción, Pérez-Torralba, Marta, Alkorta, Ibon, Elguero, José

“…Achiral compounds 4‐methoxy‐4‐(p‐methoxyphenyl)cyclohexanoneethylene ketal (2), 4‐hydroxy‐4‐(p‐methoxy phenyl)cyclohexanoneethylene ketal (3), and…”
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Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition by García, M Angeles, Farrán, M Angeles, María, Dolores Santa, Claramunt, Rosa M, Torralba, M Carmen, Torres, M Rosario, Jaime, Carlos, Elguero, José

“…The association constants of the complexes formed by two hosts containing pyrrole, amide and azine (pyridine and 1,8-naphthyridine) groups and six guests, all…”
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A theoretical study of dynamic processes observed in trimethylsilyl-1H-pyrazoles: prototropy and silylotropy by Claramunt, Rosa M., Elguero, José, Alkorta, Ibon

“…The 1 H, 13 C, 15 N and 29 Si chemical shifts of three trimethylsilyl-1 H -pyrazoles were calculated and compared with literature results; the calculations…”
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Reaction of unsymmetrical α-bromo-1,3-diketones with N -substituted thioureas: regioselective access to 2-( N -arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-( N -acylimino)-3- N -aryl-4-methylthiazoles by Aggarwal, Ranjana, Sharma, Shilpa, Jain, Naman, Sanz, Dionisia, Claramunt, Rosa M., Delgado, Patricia, Torralba, M. Carmen

“…The present study reports some fascinating results of Hantzsch's [3 + 2] cyclic condensation of α-bromo-1,3-diketones, a tri-electrophilic synthon generated in…”
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Study of the Addition Mechanism of 1 H -Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions by Alkorta, Ibon, Claramunt, Rosa M, Elguero, José, Gutiérrez-Puebla, Enrique, Monge, M Ángeles, Reviriego, Felipe, Roussel, Christian

“…The reaction of -indazoles with formaldehyde in aqueous hydrochloric acid has been experimentally studied by solution and solid-state nuclear magnetic…”
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Structure of 1,5-benzodiazepinones in the solid state and in solution: Effect of the fluorination in the six-membered ring by Pérez-Torralba, Marta, Claramunt, Rosa M, Angeles García, M, López, Concepción, Torralba, M Carmen, Rosario Torres, M, Alkorta, Ibon, Elguero, José

“…Two novel tetrafluorinated 1,5-benzodiazepinones were synthesized and their X-ray structures determined…”
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Crystal structure of (1Z,4Z)-2,4-dimethyl-3H-benzo[b][1,4]diazepine by Nieto, Carla I, Claramunt, Rosa M, Torralba, M Carmen, Torres, M Rosario, Elguero, Jose

“…The title compound is not planar due to the folding of the seven-membered ring. In the crystal, mol­ecules are packed opposite each other to minimize the…”
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Study of the Addition Mechanism of 1H‑Indazole and Its 4‑, 5‑, 6‑, and 7‑Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions by Alkorta, Ibon, Claramunt, Rosa M, Elguero, José, Gutiérrez-Puebla, Enrique, Monge, M. Ángeles, Reviriego, Felipe, Roussel, Christian

“…The reaction of NH-indazoles with formaldehyde in aqueous hydrochloric acid has been experimentally studied by solution and solid-state nuclear magnetic…”
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