Search results for "stereoselective"

showing 10 items of 31 documents

Intermolecular oxidative dehydrogenative 3,3′-coupling of benzo[b]furans and benzo[b]thiophenes promoted by DDQ/H+: total synthesis of shandougenine B

2016

With an excess of a strong acid, 2,3-dichloro-5,6-dicyano-1,4-quinone (DDQ) is shown to promote metal-free intermolecular oxidative dehydrogenative (ODH) 3,3'-coupling of 2-aryl-benzo[b]furans and 2-aryl-benzo[b]thiophenes up to 92% yield as demonstrated with 9 substrates. Based on the analysis of oxidation potentials and molecular orbitals combined with EPR, NMR and UV-Vis observations, the studied reaction is initiated by a DDQ-substrate charge transfer complex and presumably proceeds via oxidation of the substrate into an electrophilic radical cation that further reacts with another molecule of a neutral substrate. The coupling reactivity can easily be predicted from the oxidation potent…

116 Chemical sciencesEFFICIENTfree radicalscoupling reactionsvapaat radikaalit010402 general chemistryPhotochemistry01 natural sciencesMedicinal chemistryCoupling reactionoxidative dehydrogenationC BOND FORMATIONSCHOLL REACTIONELECTRON-TRANSFERMolecular orbitalReactivity (chemistry)luonnonaineiden synteesiDIPHOSPHINE LIGANDSta116BASIS-SETSCATALYZED STEREOSELECTIVE REACTIONS010405 organic chemistryChemistryOrganic ChemistrykytkentäreaktiotSubstrate (chemistry)Total synthesishapettava dehydroganaatiolaskennallinen kemiaCharge-transfer complex0104 chemical sciencesRadical ionsynthesis of natural productsACIDElectrophileCATION-RADICALSHETEROCYCLESOrganic Chemistry Frontiers
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Chiral Serum Pharmacokinetics of 4-Fluoroamphetamine after Controlled Oral Administration

2021

Abstract Over the last two decades, misuse of 4-fluoroamphetamine (4-FA) became an emerging issue in many European countries. Stimulating effects last for 4–6 hours and can impact psychomotor performance. The metabolism of amphetamine-type stimulants is stereoselective and quantification of (R)- and (S)-enantiomers has been suggested for assessing time of use. To date, no data on enantioselective pharmacokinetics is available for 4-FA in serum samples. An enantioselective liquid chromatography−tandem mass spectrometry (LC–MS-MS) method was developed using a chiral Phenomenex® Lux 3 μm AMP column. Validation of the method showed satisfactory selectivity, sensitivity, linearity (0.5–250 ng/mL…

3SAMPLESHealth Toxicology and MutagenesisNETHERLANDSAdministration OralAMPHETAMINEMETABOLISMMETHAMPHETAMINEToxicology01 natural sciencesSTEREOSELECTIVE PHARMACOKINETICSAnalytical Chemistry03 medical and health sciences4-Fluoroamphetamine0302 clinical medicinePharmacokineticsTandem Mass SpectrometryOral administrationmedicineHumansEnvironmental ChemistryIngestion030216 legal & forensic medicineChemical Health and SafetyChromatography34-METHYLENEDIOXYMETHAMPHETAMINEChemistryAmphetamines010401 analytical chemistryTRANSPORTERStereoisomerism4-METHYLENEDIOXYMETHAMPHETAMINESerum samples0104 chemical sciencesStereoselectivityFLUOROAMPHETAMINEEnantiomerPSYCHOACTIVE SUBSTANCES NPSTime of useChromatography Liquidmedicine.drugJournal of Analytical Toxicology
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Diastereoselective synthesis of 6-functionalized 4-aryl-1,3-oxazinan-2-ones and their application in the synthesis of 3-aryl-1,3-aminoalcohols and 6-…

2010

Abstract Halocyclocarbamation of benzyl N -(1-phenyl-3-butenyl)carbamates afforded 6-functionalized 4-aryl-1,3-oxazinan-2-ones with moderate to excellent diastereoselectivity depending on the N -substituent. Importantly, in contrast to reported cyclocarbamations of homoallylic carbamates, which are generally trans -diastereoselective, cyclization of N -unsubstituted Cbz-protected homoallylamines led to cis -1,3-oxazinan-2-ones, predominantly. The use of N -benzylated and in situ prepared N -silylated derivatives resulted however in trans -selectivity. Transition states are proposed to explain the stereochemical influence of the N -substituent on the cyclocarbamations. The functionalized 1,3…

3-AminoalcoholsStereochemistry3-ASYMMETRIC INDUCTION1SubstituentBiochemistrychemistry.chemical_compound4-dionesCHIRAL BUILDING-BLOCKDrug DiscoveryHEIMIA-SALICIFOLIAArylOrganic ChemistryCONCISE SYNTHESISHOMOALLYLIC AMINESTransition stateALPHA-AMINO-ACIDSChemistrySTEREOSELECTIVE-SYNTHESISCyclocarbamationSTREPTOMYCES-CLAVULIGERUSchemistryASYMMETRIC TOTAL-SYNTHESISINTRAMOLECULAR AMIDOALKYLATION3-Oxazinan-2-onesPiperidine-2
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Diastereoselective Synthesis of 2-Phenylselenenyl-1,3-anti-Diols and 2-Phenylselenenyl-1,3-anti-Azido-Alcohols via Hydroxy- and Azido-Selenenylation …

2005

A method to synthesize 2-phenylselenenyl-1,3-anti-diols and 2-phenyl- selenenyl-1,3-anti-azidoalcohols via hydroxy- or azido-selenenylation of trans-allylic alcohols is reported. Moreover, the first example of hydroxyl-selenenylation of an allylic azide is presented. Yields ranging from moderate to good and diastereomeric ratios up to 95:5 are achieved.

Allylic rearrangementAzidesPropanolsPharmaceutical SciencediolsSelenic AcidHydroxylationModels BiologicalArticleAnalytical ChemistrySubstrate Specificitylcsh:QD241-441seleniraniun ionchemistry.chemical_compoundlcsh:Organic chemistryOrganoselenium CompoundsDrug DiscoveryOrganic chemistryPhysical and Theoretical ChemistrySelenium Compoundsseleniraniun ion.organic chemicalsOrganic ChemistryDiastereomerfood and beveragesStereoisomerismSettore CHIM/06 - Chimica Organicadiastereoselective synthesis azido selenelylazation reactionchemistryChemistry (miscellaneous)AlcoholsMolecular MedicineAzideMolecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
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Ring splitting of azetidin-2-ones via radical anions

2012

The radical anions of azetidin-2-ones, generated by UV-irradiation in the presence of triethylamine, undergo ring-splitting via N-C4 or C3-C4 bond breaking, leading to open-chain amides. This reactivity diverges from that found for the neutral excited states, which is characterised by alpha-cleavage. The preference for beta-cleavage is supported by DFT theoretical calculations on the energy barriers associated with the involved transition states. Thus, injection of one electron into the azetidin-2-one moiety constitutes a complementary activation strategy which may be exploited to produce new chemistry.

AnionsAZETIDINESFree RadicalsUltraviolet RaysElectronVINYL ETHERSRing (chemistry)PhotochemistryBiochemistryPolarizable continuum modelchemistry.chemical_compoundN-(ARYLIDENE(OR ALKYLIDENE)AMINO)-2-AZETIDINONESQUIMICA ORGANICAMoietyReactivity (chemistry)BETA-LACTAM RINGPhysical and Theoretical ChemistryTriethylamineDNA PHOTOLYASEMolecular StructureSTEREOCONTROLLED SYNTHESISOrganic ChemistryTransition stateSTEREOSELECTIVE-SYNTHESISchemistryPOLARIZABLE CONTINUUM MODELExcited stateQuantum TheoryPHOTOCHEMICAL-REACTIONSBUILDING-BLOCKS
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Stereoselective construction of the tetracyclic scalarane skeleton from carvone

1999

The tetracyclic scalarane skeleton 22 has been constructed from (S)-(+)-carvone using two intramolecular Diels–Alder reactions as key synthetic steps. Abad Somovilla, Antonio, Antonio.Abad@uv.es ; Agullo Blanes, M Consuelo, Consuelo.Agullo@uv.es ; Cuñat Romero, Ana Carmen, Ana.Cunat@uv.es ; Llosa Blasco, Maria Carmen, Carmen.Llosa@uv.es

CarvoneSynthetic stepsStereochemistryChemistryUNESCO::QUÍMICA:QUÍMICA::Química orgánica [UNESCO]Metals and AlloysGeneral ChemistrySkeleton (category theory)Carvone:QUÍMICA [UNESCO]CatalysisStereoselective TetracyclicStereoselective Tetracyclic ; Carvone ; Diels-Alder reactiones ; Synthetic stepsSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundIntramolecular forceDiels-Alder reactionesMaterials ChemistryCeramics and CompositesOrganic chemistryStereoselectivityUNESCO::QUÍMICA::Química orgánica
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Ligands P-stéréogéniques dérivés du calix[4]arène. Synthèses et applications en catalyse asymétrique

2010

We were interested in synthesis of P-stereogenic ligands derived from calix[4]arene and in their application in asymmetric catalysis. Mono et diphosphines were prepared on the upper rim of the macrocyle starting from the mono or dianion of the calix[4]arene and chlorophosphines borane or the oxazaphospholidine borane complex. The best selectivity was obtained by reaction of the dianion with the oxazaphospholidine borane complex leading to a bisaminophosphine borane. After acidolysis with HCl giving the corresponding bischlorophosphine and reaction with organolithium reagents, diphosphines diborane were obtained with good yields (40 à 60 %). X-ray structures of the prepared ligands confirmed…

Chiral ligandsStereoselective synthesisAsymetric Catalysis[ PHYS.COND.CM-GEN ] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other]Synthèses stéréosélectivesCalix[4]areneMacrocyclePhosphines P-stéréogéniquesCatalyse asymétrique[CHIM.OTHE] Chemical Sciences/Other[PHYS.COND.CM-GEN] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other][PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other][ CHIM.OTHE ] Chemical Sciences/OtherP-stereogeniques PhosphinesLigands chiraux[CHIM.OTHE]Chemical Sciences/Other
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Enantiomerically pure trinuclear helicates via diastereoselective self-assembly and characterization of their redox chemistry.

2014

A tris(bipyridine) ligand 1 with two BINOL (BINOL = 2, 2′-dihydroxy-1, 1′-binaphthyl) groups has been prepared in two enantiomerically pure forms. This ligand undergoes completely diastereoselective self-assembly into D2-symmeteric double-stranded trinuclear helicates upon coordination to copper(I) and silver(I) ions and to D3-symmetric triple-stranded trinuclear helicates upon coordination to copper(II), zinc(II), and iron(II) ions as demonstrated by mass spectrometry, NMR and CD spectroscopy in combination with quantum chemical calculations and X-ray diffraction analysis. According to the calculations, the single diastereomers that are formed during the self-assembly process are strongly …

Circular dichroismStereochemistryLigandDiastereomerchemistry.chemical_elementGeneral ChemistryZincBiochemistryCopperRedoxCatalysisCrystallographyBipyridinechemistry.chemical_compoundColloid and Surface Chemistrychemistrytrinuclear helicates; diastereoselective self-assembly; X-ray diffraction; redox chemistrySelf-assemblyta116Journal of the American Chemical Society
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Chiral α-P,N Ligands From a Diastereoselective Ph2PH Addition to (η6-Benzaldimine)tricarbonylchromium Complexes

1999

International audience; Chiral α-aminophosphane (α-P–C–N) ligands have been prepared by reversible addition of Ph2PH to tricarbonylchromium benzaldimine complexes (CO)3Cr[η6-o-C6H4(Y)(CH=NR)] (with Y, R = CH3, CH3 or CH2COOCH3; CH3O, CH3 or p-CH3OC6H4; Cl, C6H5), with complete diastereoselectivity. These complexes are stabilized in solution by electron-withdrawing group(s) on the imine.

Diastereoselective reactionsStereochemistryOrganic ChemistryImine3. Good healthP ligandschemistry.chemical_compoundChromium complexeschemistryAminophosphaneGroup (periodic table)[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryChiralityChirality (chemistry)
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Synthesis of 8-aminomorphans with high KOR affinity

2021

2-Azabicyclo[3.3.1]nonanes (morphans) with a (3,4-dichlorophenyl)acetyl group at 2-position and a pyrrolidino moiety at 8-position were designed as conformationally restricted analogs of piperidine-based KOR agonists. The synthesis started with 4-oxopiperidine-2-carboxylic acid comprising 13 reaction steps. At first the ketone 10 was transformed into diester 7 bearing a propionate side chain. Dieckmann condensation of diester 7 to afford bicyclic enolester 14 and subsequent Krapcho deethoxycarbonylation represent the key steps of the synthesis. The enantiomeric pyrrolidines (1S,5R,8R)-5a and (1R,5S,8S)-5a were separated by chiral HPLC. The eutomer (1S,5R,8R)-5a showed high KOR affinity (K-i…

Diastereoselective reductive aminationEnantiomeric excessStructure-affinity relationshipsPharmacologyPyrrolidinesReceptors Opioid kappaNOESY spectrumOrganic ChemistryMolecular ConformationStereoisomerismGeneral MedicineKOR agonistsEndo-configurationStructure-Activity RelationshipKOR pharmacophoreConformational restrictionChiral HPLCDihedral angleDrug DiscoveryCis/trans-configurationMorphan2-azabicyclo[3.3.1]nonaneEuropean Journal of Medicinal Chemistry
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