Search results for "stereoisomers"

showing 9 items of 9 documents

NMR spectroscopy in environmental chemistry:1H and13C NMR parameters of tricyclic polychlorinated C10 hydrocarbons and their oxy derivatives based on…

1999

Two-dimensional homo- and heteronuclear NMR chemical shift correlation techniques were applied in the characterization of five tricyclic polychlorinated C10 hydrocarbons, chlordene (1), heptachlor (2), trans-nonachlor (3), α-chlordene (4) and γ-chlordene (5), which are spread globally in the environment owing to their use as insecticides. Approximate and partly contradictory 1H and 13C NMR chemical shifts reported in the literature were corrected in this work. The chemical shift assignments of 1–5 were based on DQF COSY, HMQC and HMBC experiments. In addition, an INADEQUATE experiment was needed to ascertain the 13C chemical shifts assignment of 2. The nJ(H,H)s of 1–5 were solved by compute…

ChemistryComputational chemistryNMR spectroscopy of stereoisomersChemical shiftAnalytical chemistryProton NMRGeneral Materials SciencePhosphorus-31 NMR spectroscopyTransverse relaxation-optimized spectroscopyGeneral ChemistryNuclear magnetic resonance spectroscopyFluorine-19 NMRCarbon-13 NMRMagnetic Resonance in Chemistry
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Complete assignments of1H and13C NMR spectra of four hispanane diterpenoids

2000

An NMR study of four hispanane diterpenoids is described. In addition to conventional 1D NMR methods, 2D shift-correlated experiments [1H,1H-COSY, 1H,1H-TOCSY, 1H,13C-HSQC-1J(C,H). 1H,13C-HMBC-nJ(C,H) (n = 2 and 3)] and 2D 1H,1H-NOESY were used for the complete and unambiguous 1H and 13C chemical shift assignments of these diterpenoids. Copyright © 2000 John Wiley & Sons, Ltd.

CrystallographyChemistryNMR spectroscopy of stereoisomersAnalytical chemistryProton NMRGeneral Materials ScienceGeneral ChemistryFluorine-19 NMRCarbon-13 NMRTwo-dimensional nuclear magnetic resonance spectroscopySpectral lineMagnetic Resonance in Chemistry
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?-Phenylsulfonyl-N-arylacetamides (?-phenylsulfonylacetanilides):1H,13C and15N NMR spectral characterization

2000

Deuterium NMRChemistryNMR spectroscopy of stereoisomersCarbon-13 NMR satelliteAnalytical chemistryProton NMRPhysical chemistryGeneral Materials SciencePhosphorus-31 NMR spectroscopyTransverse relaxation-optimized spectroscopyGeneral ChemistryFluorine-19 NMRCarbon-13 NMRMagnetic Resonance in Chemistry
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Stereoisomeric profiling of drugs of abuse and pharmaceuticals in wastewaters of Valencia (Spain)

2014

AbstractThe enantiomeric and diastereomeric profiling of chiral pharmaceuticals (ephedrine, norephedrine, atenolol and venlafaxine) and illicit drugs (amphetamine, methamphetamine, 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxy-N-methylamphetamine (MDMA) and 3,4-methylenedioxy-N-ethylamphetamine (MDEA)) was undertaken over a period of fourteen consecutive days in three wastewater treatment plants (WWTPs) in the city of Valencia, Spain. Degradation efficiency of WWTPs was found to be compound and enantiomer dependent. Selective enantiomer enrichment was observed for several target analytes. Amphetamine and MDMA were enriched with R(−)-enantiomers. 1S,2S(+)-pseudoephedrine was found …

Drugs of abuseEnvironmental EngineeringChiral drugsEnantiomersEnvironmental ChemistryPharmaceuticalsStereoisomersWastewaterWaste Management and DisposalPollution
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Assignment of1H and13C NMR data for (−)-methyl thyrsiflorin A and some scopadulan precursors

2001

The 1H and 13C NMR spectral analysis of synthetic (−)-methylthyrsiflorin A and 10 scopadulan precursors is reported. Resonance assignments were based on one- and two-dimensional NMR techniques, which included 1H, 13C, DEPT and HMQC and also 1D NOE difference spectroscopy. Copyright © 2001 John Wiley & Sons, Ltd.

Nuclear magnetic resonanceChemistryNMR spectroscopy of stereoisomersProton NMRResonancePhysical chemistryGeneral Materials ScienceGeneral ChemistryFluorine-19 NMRCarbon-13 NMRDEPTSpectroscopyMethyl thyrsiflorin AMagnetic Resonance in Chemistry
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13C NMR of carbonyl compounds. 3. Structure and dynamics of protonated enones and dienones

1984

Abstract The unsaturated ketones 1 1 – 10 10 were protonated at low temperatures and studied by dynamic 13C NMR spectroscopy. Four interconverting stereoisomers were detected which differ in their conformation with respect to the CO and CC (enone) single bond.

StereochemistryOrganic ChemistryProtonationNuclear magnetic resonance spectroscopyCarbon-13 NMRBiochemistrychemistry.chemical_compound13c nmr spectroscopychemistryComputational chemistryNMR spectroscopy of stereoisomersDrug DiscoverySingle bondEnoneTetrahedron Letters
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Substrate-dependent fluorinations of highly functionalized cycloalkanes

2016

Abstract Substrate-dependent fluorinations of several highly functionalized cycloalkanes with multiple stereocentres were investigated. The synthetic transformations were based on selective functionalization of the ring C C bonds of the readily available bicyclic β-lactams by epoxidation and regioselective nucleophilic oxirane opening with azide or cyanide, followed by hydroxy–fluorine exchange with Deoxofluor. Depending on the substituents and their relative steric arrangement, the attempted fluorinations produced different types of substituted cycloalkanes. These selective, substrate-directed synthetic procedures and their presumed pathways towards interesting highly functionalized fluori…

Steric effectsamino acidsBicyclic molecule010405 organic chemistryChemistryOrganic ChemistryselectivityRegioselectivitydeoxygenation010402 general chemistryRing (chemistry)01 natural sciencesBiochemistryfluorination0104 chemical sciencesCycloalkanechemistry.chemical_compoundNucleophileDrug DiscoveryOrganic chemistrystereoisomersAzideSelectivityta116Tetrahedron
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Comparative investigations of hydroxyamine carane derivative and its R,S-diastereoisomers with strong local anesthetic activity

2001

Our previously conducted pharmacological screening led as to the discovery of the strong local anesthetic activity of the compound designated as KP-23. Earlier crystallographic studies revealed that the compound KP-23 crystallized in diastereoisomeric form in lowest symmetry. The aim of these comparative investigations was to evaluate anesthetic activity of KP-23 and its R,S-diastereoisomers, which were synthesized at the Institute of Organic Chemistry, Biochemistry and Biotechnology, Wroclaw University of Technology.

carane derivativesanesthetic activitylidocainediastereoisomersPolish Journal of Pharmacology
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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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