A5079304435- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystal structures of chemical compounds
- Crystallography and molecular interactions
- Bioactive Compounds and Antitumor Agents
- Photochemistry and Electron Transfer Studies
- Asymmetric Synthesis and Catalysis
- Synthesis and Biological Evaluation
- Synthesis and Characterization of Heterocyclic Compounds
- Fluorine in Organic Chemistry
- Chemical Synthesis and Analysis
- Catalytic C–H Functionalization Methods
- Chemical synthesis and alkaloids
- Chemical Reaction Mechanisms
- Radical Photochemical Reactions
- Porphyrin and Phthalocyanine Chemistry
- Organometallic Compounds Synthesis and Characterization
- Multicomponent Synthesis of Heterocycles
- Synthesis and Reactions of Organic Compounds
- Organic Chemistry Cycloaddition Reactions
- Synthetic Organic Chemistry Methods
- Synthesis and biological activity
- Free Radicals and Antioxidants
- Chemical Synthesis and Reactions
- Marine Sponges and Natural Products
Universidade Federal do Rio de Janeiro
2015-2025
Fundo Brasil
2019
Centro Universitário da Cidade
2016-2017
University of Göttingen
2016
Universidade do Estado do Rio de Janeiro
2015
Centro de Tecnologia Mineral
2015
Universidade Estadual de Campinas (UNICAMP)
2002-2014
Universidade Federal Rural do Rio de Janeiro
2007
Universidade Federal da Bahia
2007
University of St Andrews
2002
Biginelli reactions have been monitored by direct infusion electrospray ionization mass spectrometry (ESI-MS) and key cationic intermediates involved in this three-component reaction intercepted further characterized tandem MS experiments (ESI-MS/MS). Density functional theory calculations were also used to investigate the feasibility of major competing mechanisms proposed for reaction. The experimental theoretical results found corroborate iminium mechanism Folkers Johnson, whereas no...
The oxidative addition of anilines (2) with 1,4-naphthoquinone (3) to give N-aryl-2-amino-1,4-naphthoquinones (1) was found be catalyzed by copper(II) acetate. In the absence catalyst, reactions are slower and lower yields formation many colateral products. presence 10 mol % hydrated acetate, generally more efficient in that they cleaner, higher yielding, faster.
Well-defined ruthenium(II) phosphinous acid (PA) complexes enabled chemo-, site-, and diastereoselective C-H functionalization of arenes alkenes with ample scope. The outstanding catalytic activity was reflected by catalyst loadings as low 0.75 mol %, the most step-economical access reported to date angiotensin II receptor antagonist blockbuster drugs. Mechanistic studies indicated a kinetically relevant C-X cleavage single-electron transfer (SET)-type elementary process, provided evidence...
The intrinsic relationship between helicenes and circulenes is of fundamental interest importance in molecular engineering. Herein, electrophilic borylation phenanthroline-derived aza[5]helicenes presented, resulting the incorporation a boryl unit into two termini to afford quasi-[7]circulenes. Their bowl-shaped structures were determined by X-ray diffraction. UV–vis absorption fluorescence spectroscopy, as well electrochemical measurements DFT calculations, gave insight their electronic...
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTAbsolute Rate Constant for the Reaction of Aryl Radicals with Tri-n-butyltin Hydride1S. J. Garden, D. V. Avila, A. L. Beckwith, W. Bowry, K. U. Ingold, and LusztykView Author Information Steacie Institute Molecular Sciences, National Research Council Canada, Ottawa, Ontario, Canada K1A 0R6 Cite this: Org. Chem. 1996, 61, 2, 805–809Publication Date (Web):January 26, 1996Publication History Received12 July 1995Published online26 January 1996Published...
A novel strategy for the ESI-MS monitoring of reaction solutions involving alternate use permanently charge-tagged reagents has been used comprehensive mass spectrometry multicomponent Hantzsch 1,4-dihydropyridine reaction. By placing a charge tag on either, or both, two key reactants, ion suppression effects ESI were eliminated minimized, and detection intermediates was achieved. The allowed trapping characterization important in mechanism formation.
Versatile and recyclable heterogeneous photocatalysts based on the use of glass wool supported ruthenium complexes organic dyes.
The Hantzsch 1,4-dihydropyridine ester (1) has been observed to be a useful selective reducing agent for the reduction of electron-withdrawing conjugated double bonds. rate this reaction was dependent upon nature substituents and, consequently, electronic unsaturated bond. Theoretical calculations confirmed importance HOMO−LUMO gap and implicated hydride transfer, agreeing with experimentally order. also revealed boatlike structure nucleus as well trans arrangement groups facilitate transfer.
Abstract A simple, high yielding, methodology for the N-alkylation of substituted isatin derivatives using calcium hydride in DMF is detailed.
Based on the in vitro trypanocidal efficacy of previously synthesized N-aryl-1,10-phenanthroline-2-amines (Phen1-20) (aryl = R-phenyl, 1- or 2-naphthyl), we explored potential interactions these derivatives as ligands our comparative model T. cruzi GP63 (TcGP63). This surface metalloprotease plays a crucial role parasite adhesion to host cells and aids cell invasion during infection Chagas disease. Ligand-protein consensus docking simulations using four GOLD scoring functions revealed that...
This study evaluated the antibacterial and antibiofilm activities of methanolic extracts from invasive corals Tubastraea coccinea tagusensis a synthesized alkaloid (APL01). The activity was by macrodilution microdilution methods using 16 bacterial strains. in Staphylococcus aureus biofilm inhibition assay. cytotoxic potential also analyzed human carcinoma cell lines HEp-2 Caco-2. All samples were capable interfering with growth strains, highlighted extract T. coccinea, which inhibited...
The structures of (3-hydroxypropyl)iododiphenyltin 3 and 2,7-diiodo-2,7-diphenyl-1,6-dioxa-2,7-distannacyclodecane 6 have been determined by single-crystal X-ray diffraction. Compound 6, obtained controlled thermolysis 3, has a tricyclic structure, with central Sn2O2 ring arising from transannular, Sn–O [i.e. Sn(2)–O(6) Sn(7)–O(1)] interactions. terminal rings in centrosymmetric are transoid arrangement respect to the ring, i.e. there is stepped geometry. tin atoms trigonal-bipyramidal...
Abstract The steric and stereoelectronic effects that control the enantioselectivity in cross‐aldol addition of acetone to isatin catalyzed by L ‐proline have been studied means DFT AIM calculations. This reaction results a reversal compared with corresponding 4,6‐dibromoisatin aldehydes. calculations transition states indicate product formation follows different pathways for substrates 4,6‐dibromoisatin. In case isatin, S enantiomer is favoured as consequence effect lower‐energy state...