Search results for "Chemoselectivity"

showing 8 items of 38 documents

Understanding the regio- and chemoselective polar [3+2] cycloaddition of the Padwa carbonyl ylides with α-methylene ketones. A DFT study

2009

The regio- and chemoselective polar [3+2] cycloaddition (32CA) of the Padwa carbonyl ylide (CY) with α-methylene ketone (αMK) to yield the oxa-bridged spirocycloadduct has been studied using the DFT method at the B3LYP/6-31G(d) computational level. Six reactive channels associated to the stereo-, regio-, and chemoselective approach modes of the CY to the CC and CO reactive sites of the αMK have been analyzed. DFT calculations for this cycloaddition are in complete agreement with the experimental outcome, explaining the reactivity and selectivity of the formation of the [3+2] cycloadduct. Analysis of the global and local electrophilicity and nucleophilicity indices allows an explanation abou…

chemistry.chemical_classificationKetoneStereochemistryOrganic ChemistryRegioselectivityBiochemistryCycloadditionReaction coordinatechemistryNucleophileYlideComputational chemistryDrug DiscoveryElectrophileChemoselectivityTetrahedron
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Chemodiscrimination of Olefin Bonds Through Cross‐Metathesis Reactions – Synthesis of Functionalized β‐Lactam and β‐Amino Acid Derivatives

2019

chemistry.chemical_classificationOlefin fiberchemistry.chemical_compoundChemistryStereochemistryOrganic ChemistrySalt metathesis reactionLactamPhysical and Theoretical ChemistryChemoselectivityMetathesisAmino acidEuropean Journal of Organic Chemistry
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Oxidation of Sulfides with a Silica-Supported Peracid in Supercritical Carbon Dioxide under Flow Conditions: Tuning Chemoselectivity with Pressure

2010

Supercritical carbon dioxide is a convenient medium for performing the selective oxidation of sulfides 1 to either sulfoxides 2 or sulfones 3 with [2-percarboxyethyl]-functionalized silica (4) under flow conditions. The chemoselectivity of the reaction, which results from the different diffusion rates of sulfide and sulfoxide over the reagent bed, can be controlled by adjusting the pressure and the hydration of the silica surface as both the solvating power of the mobile phase and the surface activity of the stationary phase determine the migration rates of sulfide 1 and sulfoxide 2 over the supported peroxide. The results elucidate the impact of surface phenomena on the course of chemical …

chemistry.chemical_classificationSupercritical carbon dioxideSulfideChemistryOrganic ChemistryInorganic chemistrySulfoxideChemical reactionSupercritical fluidchemistry.chemical_compoundAdsorptionReagentPhysical and Theoretical ChemistryChemoselectivityEuropean Journal of Organic Chemistry
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Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones

2008

International audience; The [3 + 2] cycloaddition reaction between carbonyl ylides generated from epoxides and ketones (ethyl pyruvate, ethyl phenylglyoxylate, isatin, N-methylisatin and 5-chloroisatin) to give substituted dioxolanes and spirocyclic dioxolane indolinones was investigated. The effect of microwave irradiation on the outcome of the reaction was studied. The thermal reaction between 2,2-dicyano-3-phenyloxirane and N-methylisatin was theoretically studied using DFT methods. This reaction is a domino process that comprises two steps. The first is the thermal ring opening of the epoxide to yield a carbonyl ylide intermediate, whereas the second step is a polar [3 + 2] cycloadditio…

chemistry.chemical_classification[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryOrganic ChemistryEpoxide010402 general chemistry01 natural sciencesBiochemistryCycloaddition0104 chemical scienceschemistry.chemical_compoundchemistryYlideDioxolaneYield (chemistry)ElectrophileOrganic chemistryStereoselectivityPhysical and Theoretical ChemistryChemoselectivityComputingMilieux_MISCELLANEOUSOrganic & Biomolecular Chemistry
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Novel strategy for the synthesis of fluorinated β-amino acid derivatives from Δ2-oxazolines

2001

Abstract Racemic and chiral non-racemic β-fluoroalkyl-β-amino acid derivatives have been prepared in two steps starting from 2-alkyl-Δ2-oxazolines and fluorinated imidoyl chlorides. Subsequent chemoselective reduction of the C-masked β-enamino acid derivatives initially formed provided the target β-amino acids. The process takes place with total chemoselectivity, high yields and satisfactory diastereoselectivity.

chemistry.chemical_classificationchemistryOrganic ChemistryDrug DiscoveryChemoselectivityBiochemistryCombinatorial chemistryAmino acidTetrahedron
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ChemInform Abstract: Novel Strategy for the Synthesis of Fluorinated β-Amino Acid Derivatives from Δ2-Oxazolines.

2010

Abstract Racemic and chiral non-racemic β-fluoroalkyl-β-amino acid derivatives have been prepared in two steps starting from 2-alkyl-Δ2-oxazolines and fluorinated imidoyl chlorides. Subsequent chemoselective reduction of the C-masked β-enamino acid derivatives initially formed provided the target β-amino acids. The process takes place with total chemoselectivity, high yields and satisfactory diastereoselectivity.

chemistry.chemical_classificationchemistryOrganic chemistryGeneral MedicineChemoselectivityAmino acidChemInform
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Synthesis of 1,3-Oxazolidines and 1,3-Dioxolanes by Reaction of (2R, 3R)-3-Methylamino-3-phenyl-1,2-propanediol with Electrophiles

2003

Abstract The chemoselective reaction of (2R, 3R)-3-methylamino-3-phenyl-1,2-propanediol 1 with dimethoxypropane and dichloromethane under different conditions are reported as useful preparative procedures, for the synthesis 1,3-oxazolidines and 1,3-dioxolanes.

chemistry.chemical_compoundchemistryOrganic ChemistryElectrophileOrganic chemistryChemoselectivityDichloromethanePropanediolSynthetic Communications
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Fluorination of some highly functionalized cycloalkanes: chemoselectivity and substrate dependence.

2017

A study exploring the chemical behavior of some dihydroxylated β-amino ester stereo- and regioisomers, derived from unsaturated cyclic β-amino acids is described. The nucleophilic fluorinations involving hydroxy–fluorine exchange of some highly functionalized alicyclic diol derivatives have been carried out in view of selective fluorination, investigating substrate dependence, neighboring group assistance and chemodifferentiation.

isomeriaDiolchemistry.chemical_elementaminohapot010402 general chemistry01 natural sciencesFull Research Paperlcsh:QD241-441chemistry.chemical_compoundAlicyclic compoundNucleophilelcsh:Organic chemistryfluorineStructural isomerOrganic chemistrystereoisomersChemoselectivitylcsh:Scienceta116chemistry.chemical_classificationamino acids010405 organic chemistryOrganic ChemistrySubstrate (chemistry)03.01. Általános orvostudományfluori0104 chemical sciencesChemistrychemistrychemoselectivityFluorineSurface modificationfunctionalizationlcsh:QBeilstein journal of organic chemistry
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