Search results for "Stereochemistry"

showing 10 items of 4831 documents

Diels–Alder reaction of β-fluoro-β-nitrostyrenes with cyclic dienes

2021

The Diels–Alder reaction of β-fluoro-β-nitrostyrenes with cyclic 1,3-dienes was investigated. A series of novel monofluorinated norbornenes was prepared in up to 97% yield. The reaction with 1,3-cyclohexadiene permits the preparation of monofluorinated bicyclo[2.2.2]oct-2-enes. The kinetic data of the reactions with 1,3-cyclopentadiene and 1,3-cyclohexadiene were used to calculate activation parameters. Furthermore, the synthetic utility of the cycloadducts obtained was demonstrated.

nitrostyreneBicyclic moleculeChemistryOrganic Chemistrystereochemistrychemistry.chemical_elementnorborneneMedicinal chemistryFull Research Paperlcsh:QD241-441Chemistrychemistry.chemical_compoundlcsh:Organic chemistryDiels–Alder reactionfluorineYield (chemistry)Fluorinelcsh:Qlcsh:ScienceNorborneneDiels–Alder reactionBeilstein Journal of Organic Chemistry
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New charge transfer salts of two organic π-donors of the tetrathiafulvalene type with the paramagnetic [Cr(NCS)6]3- anion

2003

cited By 9; International audience; The electrochemical combination of the paramagnetic anion [Cr(NCS)6]3- with the organic π-donors bis(ethylenedithio)tetrathiafulvalene (ET) and 4,5-bis(2-hydroxyethylthio) -4′,5′-ethylenedithiotetrathiafulvalene (DHET-EDTTTF) leads to two new radical cation salts, namely (ET)4 [Cr(NCS 6]·PhCN 1 and (DHET-EDTTTF)2 (NEt4)[Cr(NCS)6] 2. Both have been characterized by X-ray crystallography, magnetic and resistivity measurements. The structure of 1 consists of alternating inorganic layers generated by the anions and organic layers in which the PhCN molecules are inserted; the organic sub-lattice is built up from four different ET units, three of them with a ch…

organic compoundStereochemistryGeneral Chemical EngineeringDimerCrystal structure010402 general chemistry01 natural scienceschromium derivativeParamagnetismchemistry.chemical_compoundtetrathiafulvalene derivativeMolecule[CHIM]Chemical Sciencescontrolled studyradical010405 organic chemistryferromagnetic materialarticleCharge densityGeneral ChemistryanionX ray crystallographysemiconductordimerMagnetic susceptibility0104 chemical sciencescationinorganic compoundCrystallographyRadical ionchemistryelectrochemistrymagnetismchemical structureroom temperatureTetrathiafulvaleneconductanceenergy
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Synthesis, NMR spectral and structural studies on mixed ligand complexes of Pd(II) dithiocarbamates: First structural report on palladium(II) dithioc…

2016

Abstract Three new mixed ligand complexes of palladium(II) dithiocarbamates; [Pd(4-dpmpzdtc)(PPh3)(SCN)] (1), [Pd(4-dpmpzdtc)(PPh3)Cl] (2) and [Pd(bzbudtc)(PPh3)Cl] (3), (where, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, bzbudtc = N-benzyl-N-butyldithiocarbamato anion and PPh3 = triphenylphosphine) have been synthesized from their respective parent dithiocarbamates by ligand exchange reactions and characterized by IR and NMR (1H, 13C and 31P) spectroscopy. IR and NMR spectral data support the isobidentate coordination of the dithiocarbamate ligands in all complexes (1–3) in solid and in solution, respectively. Single crystal diffraction analysis of complexes 1–3 evidence…

palladium(II)synthesisStereochemistrychemistry.chemical_element010402 general chemistry01 natural sciencesSingle Crystal DiffractionAnalytical ChemistryIonInorganic Chemistryligand exchange reactionsDithiocarbamateSpectral dataSpectroscopyta116Spectroscopysingle crystal X-ray diffractionchemistry.chemical_classification010405 organic chemistryChemistryLigandOrganic ChemistryMixed ligandNMR0104 chemical sciencesCrystallographyPalladiumJournal of Molecular Structure
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Synthesis and Molecular Modeling Studies of Derivatives of a Highly Potent Peptidomimetic Vinyl Ester as Falcipain-2 Inhibitors

2012

Herein we report the synthesis of a set of constrained peptidomimetics endowed with an electrophilic vinyl ester warhead and structurally related to a previously identified lead compound, a potent and irreversible inhibitor of falcipain-2 (FP-2). FP-2 is the main hemoglobinase of the malaria parasite P. falciparum. The new compounds were evaluated for their inhibition against FP-2, and the results were rationalized on the basis of docking experiments. These studies underscore the pivotal role of both the ester function at the P1' site and the trifluoromethyl group of the P3 side chain in determining the correct orientation of the Michael acceptor warhead in the catalytic site, and as a cons…

peptidomimeticdMolecular modelPeptidomimeticStereochemistryPlasmodium falciparumVinyl esterBiochemistrycysteine proteasesfalcipain-2 inhibitorsAntimalarialschemistry.chemical_compoundCatalytic DomainDrug DiscoverySide chainHumansEnzyme InhibitorsMalaria FalciparumGeneral Pharmacology Toxicology and PharmaceuticsPharmacologyTrifluoromethylOrganic Chemistrydocking studiescysteine proteases; peptidomimeticd; docking studies; falcipain-2 inhibitorsMolecular Docking SimulationCysteine EndopeptidaseschemistryDocking (molecular)Michael reactionMolecular MedicinePeptidomimeticsLead compoundChemMedChem
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P-C Cross-Coupling Onto Enamides: Versatile Synthesis of α-Enamido Phosphane Derivatives

2012

We report herein the Pd-catalyzed P–C cross-coupling reac- tion between enol phosphates and secondary phosphane–bor- ane complexes or phosphane oxides. The reaction was per- formed under mild conditions, owing to Pd activation of the P–H bonds of the phosphane–boranes (or phosphane oxides) and to the powerful enol phosphate coupling reagents. New useful chiral and achiral α - β -alkenylphosphane derivatives bearing an amido group in the α -position to the P center were obtained in yields up to 70 %.

phosphaalkenesStereochemistryboranesOrganic ChemistryphosphanesBoranesPhosphateEnolMedicinal chemistryCoupling (electronics)chemistry.chemical_compoundchemistryenolsReagentcross-couplingPhysical and Theoretical ChemistryEuropean Journal of Organic Chemistry
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Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites

2016

International audience; A new enantiodivergent synthesis of P-chirogenic 1,2-diphosphinobenzenes (DP*B) bearing the chirality on one or both phosphorus centers is reported using aryne chemistry. The principle is based on successive reactions of 1,2-dibromobenzene with sec-phosphide boranes, then DABCO to remove the borane, and finally with chlorophosphines or P(III)-chirogenic phosphinites. The efficiency of this synthesis was demonstrated by the stereoselective preparation of (S,S)-1,2-bis(o-anisylphenylphosphino)benzene. A comparison of DIPAMP and homochiral DP*B ligands in asymmetric Rh- or Pd-catalyzed reactions was reported.

phosphine-ligandsDIPAMPketonesStereochemistryBoranesDABCOBorane010402 general chemistry[ CHIM ] Chemical Sciences01 natural sciencesBiochemistryArynecatalyzed asymmetric hydrogenationchemistry.chemical_compoundfunctionalized alkenes[ CHIM.ORGA ] Chemical Sciences/Organic chemistry[CHIM]Chemical SciencesorganocatalysisPhysical and Theoretical Chemistryhydroformylation010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic Chemistrycarbon-monoxide0104 chemical scienceshighly enantioselective hydrogenationOrganocatalysisderivativesStereoselectivityChirality (chemistry)phospholane ligands
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Herbicidal activity of phosphonic, phosphinic, and phosphonous acid analogues of phenylglycine and phenylalanine

1995

A series of phosphonic, phosphinic, and phosphonous acid analogues of phenylglycine and phenylalanine was synthesized and tested as herbicides against Lepidium sativum and Cucumis sativus. Aminobenzylphosphonic acids exhibited notable herbicidal activity and thus represent a group of the most active herbicides found among aminophosphonic acids.

phosphonic acidStereochemistryfood and beveragesPhenylalanineBiological activityPlant ScienceLepidium sativumchemistry.chemical_compoundchemistryglyphosateGlyphosateacid analogueOrganic chemistryadamantylAgronomy and Crop Scienceherbicidal activityJournal of Plant Growth Regulation
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The pentafluorophenyl group as π-acceptor for anions: a case study

2015

Chemical science 6(1), 354-359 (2015). doi:10.1039/C4SC02762K

positive chargesChemistryStereochemistryChemieSolid-stateGeneral Chemistryhapticities540side-chainsstructural dataAcceptor3. Good healthIonevaluation criteriakey elementsComputational chemistryGroup (periodic table)pentafluorophenylddc:540HapticitySide chainStatistical analysiselectron-deficientta116Chemical Science
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Diversity of Isomerization Patterns and Protolytic Forms in Aminocarbene PdII and PtII Complexes Formed upon Addition of N,N′-Diphenylguanidine to Me…

2017

Reaction of the palladium(II) and platinum(II) isocyanide complexes cis-[MCl2(CNR)2] [M = Pd, R = C6H3(2,6-Me2) (Xyl), 2-Cl-6-MeC6H3, cyclohexyl (Cy), t-Bu, C(Me)2CH2(Me)3 (1,1,3,3-tetramethylbuth-1-yl abbreviated as tmbu); M = Pt, R = Xyl, 2-Cl-6-MeC6H3, Cy, t-Bu, and tmbu] with N,N′-diphenylguanidine (DPG) leads to DPG-derived metal-bound deprotonated acyclic diaminocarbene (ADC) species. This reaction occurs via a two-step process, involving the initial coupling of the guanidine with one of the isocyanides and leading to deprotonated monocarbene monochelated species, while the next addition grants the deprotonated bis-carbene bis-chelated metal compounds. DPG behaves as nucleophile, depr…

protolytic forms010405 organic chemistryStereochemistryIsocyanideOrganic ChemistrySubstituentchemistry.chemical_elementRegioselectivityaminocarbene complexes010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesdiversityInorganic Chemistrychemistry.chemical_compoundDeprotonationchemistryNucleophileisomerization patternsPhysical and Theoretical ChemistryGuanidineIsomerizationta116PalladiumOrganometallics
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Interaction of mushroom tyrosinase with aromatic amines, o-diamines and o-aminophenols

2004

3-Amino-L-tyrosine was found to be a substrate of mushroom tyrosinase, contrary to what had previously been reported in the literature. A series of amino derivatives of benzoic acid were tested as substrates and inhibitors of the enzyme. 3-Amino-4-hydroxybenzoic acid, 4-amino-3-hydroxybenzoic acid and 3,4-diaminobenzoic acid were oxidized by this enzyme, as previously reported for Neurospora crassa tyrosinase, but 4-aminobenzoic acid and 3-aminobenzoic acid were not. Interestingly, 3-amino-4-hydroxybenzoic acid was oxidized five times faster than 4-amino-3-hydroxybenzoic acid, confirming the importance of proton transfer from the hydroxyl group at C-4 position. All compounds inhibited the m…

proton transferStereochemistryTyrosinaseBiophysicsPlasma protein bindingDiaminestyrosinaseAminophenolsBiochemistryCatalysisNeurospora crassachemistry.chemical_compoundo-aminophenolSide chainAminesMolecular BiologyBenzoic acidchemistry.chemical_classificationbiologyMonophenol Monooxygenaseo-phenylenediamineSubstrate (chemistry)biology.organism_classificationOxygenEnzymechemistryElectrophoresis Polyacrylamide GelAgaricalesProtein BindingBiochimica et Biophysica Acta (BBA) - General Subjects
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