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Regio- and Stereoselective Synthesis of 3-Pyrazolylidene-2-oxindole Compounds by Nucleophilic Vinylic Substitution of (E)-3-(Nitromethylene)indolin-2…

2019

[EN] A highly regio- and stereoselective synthesis of 3-alkylidene-2-oxindoles has been described through a nucleophilic vinylic substitution (SNV) of (E)-3-(nitromethylene)indolin-2-one using pyrazol-3-ones as nucleophiles and Et3N as a base. The reaction affords selectively the Z-isomer when pyrazol-3-ones without substituents at the 4 position are used. While the reaction is E-selective with 4- substituted pyrazolones. The stereoselectivity (up to >20:1) and the yields (up to 98%) are very high under mild reaction conditions.

010405 organic chemistryChemistryStereochemistryEstereoquímica2-oxindoleSubstitution (logic)2-oxindoleStereoselectivityGeneral ChemistryIndolin 2 one010402 general chemistry01 natural sciences0104 chemical sciencesReaccions químiquesRegioselectivityNucleophileFISICA APLICADAmedia_common.cataloged_instancePyrazoloneStereoselectivityEuropean unionmedia_commonVinylic substitution
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Total Synthesis of Stemoamide, 9a-epi-Stemoamide, and 9a,10-epi-Stemoamide: Divergent Stereochemistry of the Final Methylation Steps

2020

Total syntheses of stemoamide, 9a-epi-stemoamide, and 9a,10-epi-stemoamide by a convergent A + B ring-forming strategy is reported. The synthesis required a diastereoselective late-stage methylation of the ABC stemoamide core that successfully enabled access to three of the four possible diastereomeric structures. For the natural stemoamide series, the diastereoselectivity can be rationalized both by kinetic and thermodynamic arguments, whereas for the natural 9a-epi-stemoamide series, the kinetic selectivity is explained by the prepyramidalization of the relevant enolate.

010405 organic chemistryChemistryStereochemistryOrganic ChemistryDiastereomerTotal synthesisMethylation010402 general chemistrySelectivity01 natural sciencesStemoamide0104 chemical sciencesSynlett
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Proline-Modified Porphyrin Catalysts for Enantioselective Epoxidations: Design, Synthesis, and Reactivity

2004

International audience; The syntheses of various strapped and −picket-fence× chiral porphyrins are described, and their reactivities towards the enantioselective epoxidation of alkenes are reported. Four L-proline residues provide the chiralityfor the various meso-substituted catalysts, which differ by either the spatial arrangement of the stereogenic centers or the nature and length of the straps. The resulting bridged structures possess four amide linkages ineach strap, leading to highly rigid molecules with well-defined geometries whereas the strapped Fe catalysts gave rise to only moderate enantioselectivities, the C2-symmetrical ones being superior to the D2-symmetrical compounds. The …

010405 organic chemistryChemistryStereochemistryOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesBiochemistryPorphyrin[ CHIM ] Chemical SciencesCatalysis0104 chemical sciencesStereocenterCatalysisInorganic Chemistrychemistry.chemical_compoundAmideDrug DiscoveryMolecule[CHIM]Chemical SciencesReactivity (chemistry)Physical and Theoretical ChemistryChirality (chemistry)
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Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations

2017

Vinylogous Nazarov-type cyclizations yield seven-membered rings from butadienyl vinyl ketones via a photochemical [6π] photocyclization followed by subsequent isomerization steps. The mechanism of this recently developed method was investigated using unrestricted DFT, SF-TDDFT, and CASSCF/NEVPT2 calculations, suggesting three different pathways that lead either to pure trans, pure cis, or mixed cis/trans configured products. Singlet biradicals or zwitterions occur as intermediates. The computational results are supported by deuterium-labeling experiments.

010405 organic chemistryChemistryStereochemistryYield (chemistry)Organic ChemistrySinglet state010402 general chemistrySelectivity01 natural sciencesIsomerizationCis–trans isomerism0104 chemical sciencesThe Journal of Organic Chemistry
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Asymmetric Synthesis of Spiro β-Lactamsviaa Squaramide- Catalyzed Sulfa-Michael Addition/Desymmetrization Protocol

2016

An efficient asymmetric synthesis of spirocyclohexenone β-lactams bearing three contiguous stereocenters has been achieved in moderate to good yields and high stereoselectivities. The protocol involves the combination of a squaramide-catalyzed sulfa-Michael addition under desymmetrization via a dynamic kinetic resolution of racemic 2,5-cyclohexadienones.

010405 organic chemistryChemistryStereochemistrybeta-lactamsasymmetric synthesisEnantioselective synthesisSquaramideGeneral Chemistry010402 general chemistry01 natural sciencesDesymmetrization0104 chemical sciencesKinetic resolutionStereocenterCatalysisOrganocatalysisMichael reactionta116Advanced Synthesis & Catalysis
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Self-assembled Pt2L2 boxes strongly bind G-quadruplex DNA and influence gene expression in cancer cells

2017

Supramolecular Pt(ii) quadrangular boxes bind native and G-quadruplex DNA motifs in a size-dependent fashion. Three Pt molecular squares of distinct size show biological activity against cancer cells and heavily influence the expression of genes known to form G-quadruplexes in their promoter regions. The smallest Pt-box displays less activity but more selectivity for a quadruplex formed in the c-Kit gene.

010405 organic chemistryChemistrySupramolecular chemistryBiological activity010402 general chemistryG-quadruplex01 natural sciencesMolecular biology0104 chemical sciencesSelf assembledCell biologyInorganic Chemistrychemistry.chemical_compoundG-quadruplex PlatinumSettore CHIM/03 - Chimica Generale E InorganicaGene expressionCancer cellheterocyclic compoundsGeneDNADalton Transactions
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Systematic Investigation of Resorcin[4]arene-Based Cavitands as Affinity Materials on Quartz Crystal Microbalances.

2017

Resorcin[4]arene cavitands are well-known supramolecular hosts, and their outstanding guest-binding abilities in solution have been studied in detail in recent decades. In a systematic approach, different resorcin[4]arene cavitands and container molecules are characterized as affinity materials for gravimetric sensing using high-fundamental-frequency quartz crystal microbalances. Analysis of their affinity toward a series of various analytes reveals a remarkable dependence of both selectivity and sensitivity on the shape, accessibility, and size of the cavity, along with their supramolecular interactions with the host molecules.

010405 organic chemistryChemistrySupramolecular chemistryGeneral Chemistry010402 general chemistry01 natural sciencesCombinatorial chemistry0104 chemical sciencesCrystalMolecular recognitionOrganic chemistryGravimetric analysisMoleculeSelectivityQuartzChemPlusChem
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Arene C−H Activation at Aluminium(I): meta Selectivity Driven by the Electronics of S N Ar Chemistry

2020

The reactivity of the electron-rich anionic Al(I) ('aluminyl') compound K 2 [(NON)Al] 2 (NON = 4,5-bis(2,6-diisopropylanilido)-2,7-di- tert -butyl-9,9-dimethylxanthene) towards mono- and disubstituted arenes is reported. C-H activation chemistry with n -butylbenzene gives exclusively the product of activation at the arene meta position. Mechanistically, this transformation proceeds in a single step via a concerted Meisenheimer-type transition state. Selectivity is therefore based on similar electronic factors to classical S N Ar chemistry, which implies the destabilization of transition states featuring electron-donating groups in either the ortho or the para positions. In the cases of tolu…

010405 organic chemistryChemistryXyleneSubstituentGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryTolueneCatalysisTransition state0104 chemical sciences3. Good healthchemistry.chemical_compoundMeta-Nucleophilic aromatic substitutionReactivity (chemistry)SelectivityAngewandte Chemie International Edition
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Squaramide-Catalyzed Asymmetric aza-Friedel-Crafts/N,O-Acetalization Domino Reactions Between 2-Naphthols and Pyrazolinone Ketimines

2017

N-Boc ketimines derived from pyrazolin-5-ones were explored to develop an unprecedented domino aza-Friedel-Crafts/N,O-acetalization reaction with 2-naphthols. The novel method requires a catalyst loading of only 0.5 mol % of a bifunctional squaramide catalyst, is scalable to gram amounts, and provides a new series of furanonaphthopyrazolidinone derivatives bearing two vicinal tetra-substituted stereogenic centers in excellent yields (95-98 %) and stereoselectivity (>99:1 d.r. and 97-98 % ee). A different reactivity was observed in the case of 1-naphthols and other electron-rich phenols, which led to the aza-Friedel-Crafts adducts in 70-98 % yield and 47-98 % ee.

010405 organic chemistryChemistrydomino reactionsEnantioselective synthesisSquaramideGeneral MedicineGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryCatalysisDomino0104 chemical sciencesStereocenterCatalysischemistry.chemical_compoundOrganocatalysisYield (chemistry)StereoselectivityReactivity (chemistry)Bifunctionalta116Friedel–Crafts reactionAngewandte Chemie International Edition
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Effect of Superbasic Ionic Liquids on the Synthesis of Dendritic PolyaminesviaAza-Michael Addition Reaction

2017

Catalytic effect of selected superbasic ionic liquids on the yield and selectivity of aza-Michael addition of ethylenediamine and ammonia to acrylonitrile was investigated. The reactions were performed in calorimetric reactor equipped with RT-IR probe (real-time IR), where all energy changes associated with chemical reactions and physical transformations were monitored. Catalytic activity of selected superbasic ionic liquids in aza-Michael addition ethylenediamine and ammonia to acrylonitrile were determined and obtained polynitriles were then hydrogenatated to final three- and four-directional dendritic polyamines. The products were characterized by instrumental analytical methods, includi…

010405 organic chemistryEthylenediamineGeneral Chemistry010402 general chemistry01 natural sciencesChemical reaction0104 chemical sciencesCatalysischemistry.chemical_compoundchemistryYield (chemistry)Ionic liquidMichael reactionOrganic chemistryAcrylonitrileSelectivityChemistrySelect
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