Search results for "Spectroscopy"

showing 10 items of 10293 documents

Multinuclear magnetic resonance and x-ray diffraction studies of aminonitropyridines

1992

The 15N NMR spectra for 21 aminonitropyridines were measured and their chemical shifts assigned. The 1H and 13C NMR chemical shifts and spin–spin coupling constants were also determined for 16 compounds of this series. In order to relate the structural properties of nitramino groups and their 15N NMR chemical shifts in 2- and 4-nitramino-3-nitropyridines, which differ remarkably from all other amino groups studied, low-temperature 1H NMR, 17O NMR, comparative INEPT and IR spectroscopic studies were carried out. In addition, the x-ray crystal structure of 2-nitramino-3-nitropyridine was determined. Comparative spectroscopic studies showed that the nitramino derivatives exhibit different char…

StereochemistryCarbon-13 NMR satelliteChemical shiftGeneral ChemistryNuclear magnetic resonance spectroscopyCarbon-13 NMRTautomerNMR spectra databasechemistry.chemical_compoundCrystallographychemistryProton NMRGeneral Materials SciencePyridiniumMagnetic Resonance in Chemistry
researchProduct

Syntheses of Four Enantiomers of 2,3-Diendo- and 3-Endo-aminobicyclo[2.2.2]oct-5-ene-2-exo-carboxylic Acid and Their Saturated Analogues

2013

Abstract: Ethyl 2,3- diendo -3-aminobicyclo[2.2.2]oct- 5-ene-2-carboxylate ((±)- 1 ) was resolved with O , O '-dibenzoyltartaric acid via diastere omeric salt formation. The efficient synthesis of the enantiomers of 2,3- diendo -3-aminobicyclo[2.2.2]oct- 5-ene-2-carboxylic acid ((+)- 7 and (–)- 7 ), 3- endo -aminobicyclo[2.2.2]oct-5-ene-2- exo -carboxylic acid ((+)- 5 and (–)- 5 ), cis - and trans -3-aminobicyclo[2.2.2]octa ne-2-carboxylic acid ((+)- 6 , (–)- 6 , (+)- 8 and (–)- 8 ) was achieved via isomerization, hydrogenation and hydrolysis of the corresponding esters (–)- 1 and (+)- 1 . The stereochemistry and relative configurations of the synthesized compounds were determined by NMR sp…

StereochemistryCarboxylic acidCarboxylic AcidsPharmaceutical ScienceArticleAnalytical Chemistrylcsh:QD241-441Hydrolysislcsh:Organic chemistryDrug DiscoveryMoleculePhysical and Theoretical Chemistryta116Nuclear Magnetic Resonance BiomolecularEne reactionchemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryDiastereomerresolutionconstrained chiral β-amino acidsEstersNuclear magnetic resonance spectroscopycontinuous flow hydrogenationsChemistry (miscellaneous)bicyclic β-amino acid derivativesMolecular MedicineEnantiomercontinuous flow hydrogenations<b> </b>bicyclic beta-amino acid derivativesIsomerizationconstrained chiral beta-amino acids
researchProduct

Triterpenoid saponins from the roots of Spergularia marginata.

2016

Phytochemical investigations of the roots of Spergularia marginata had led to the isolation of four previously undescribed triterpenoid saponins, a known one and one spinasterol glycoside. Their structures were established by extensive NMR and mass spectroscopic techniques as 3-O-β-D-glucuronopyranosyl echinocystic acid 28-O-α-L-arabinopyranosyl-(1 → 2)-α-L-rhamnopyranosyl-(1 → 3)-β-D-xylopyranosyl-(1 → 4)-α-L-rhamnopyranosyl-(1 → 2)-α-L- arabinopyranosyl ester, 3-O-β-D-glucopyranosyl-(1 → 3)-β-D-glucuronopyranosyl echinocystic acid 28-O-α-L-arabinopyranosyl-(1 → 2)-α-L-rhamnopyranosyl-(1 → 3)-β-D-xylopyranosyl-(1 → 4)-α-L-rhamnopyranosyl-(1 → 2)- α-L-arabinopyranosyl ester, 3-O-β-D-glucopy…

StereochemistryCaryophyllaceaeCaryophyllaceaePlant ScienceHorticulture01 natural sciencesBiochemistryPlant Rootschemistry.chemical_compoundTriterpenoidHumansOleanolic AcidCytotoxicityMolecular BiologyNuclear Magnetic Resonance Biomolecularchemistry.chemical_classificationbiologyMolecular Structure010405 organic chemistryGlycosideGeneral MedicineSaponinsbiology.organism_classificationTriterpenes0104 chemical sciences010404 medicinal & biomolecular chemistryMoroccoSpinasterolchemistryPhytochemicalTwo-dimensional nuclear magnetic resonance spectroscopySpergulariaPhytochemistry
researchProduct

Bioactive pyrrole alkaloids isolated from the Red Sea : marine sponge Stylissa carteri

2017

Abstract Fifteen pyrrole alkaloids were isolated from the Red Sea marine sponge Stylissa carteri and investigated for their biological activities. Four of them were dibrominated [(+) dibromophakelline, Z-3-bromohymenialdisine, (±) ageliferin and 3,4-dibromo-1H-pyrrole-2-carbamide], nine compounds were monobrominated [(−) clathramide C, agelongine, (+) manzacidin A, (−) 3-bromomanzacidin D, Z-spongiacidin D, Z-hymenialdisine, 2-debromostevensine, 2-bromoaldisine and 4-bromo-1H-pyrrole-2-carbamide)] and finally, two compounds were non-brominated derivatives viz., E-debromohymenialdisine and aldisine. The structure elucidations of isolated compounds were based on 1D &amp; 2D NMR spectroscopic …

StereochemistryCell Survival01 natural sciencesGeneral Biochemistry Genetics and Molecular BiologyCell LineRSchemistry.chemical_compoundAlkaloidsAnimalsHumansPyrrolesProtein kinase ACytotoxicityIndian OceanAgeliferinPyrrolebiologyMolecular Structure010405 organic chemistryKinasebiology.organism_classificationHCT116 Cells0104 chemical sciencesPorifera010404 medicinal & biomolecular chemistrySpongechemistryStylissa carteriDrug Screening Assays AntitumorTwo-dimensional nuclear magnetic resonance spectroscopy
researchProduct

Synthesis, chemical characterization and biological activity of new histone acetylation/deacetylation specific inhibitors: a novel and potential appr…

2013

Three new triorganotin(IV) complexes of valproic acid (vp1, Me3Sn-valproate; vp2, Bu3Sn-valproate; vp3, Ph3Sn-valproate) have been synthesized and investigated by spectroscopic and biological methods. An anionic, monodentate valproate ligand was observed, ester-like coordinating the tin atom on a tetra-coordinated, monomeric environment. The structures, though, can distort towards a penta-coordination, as a consequence of a long range O center dot center dot center dot Sn interaction. Crystallographic and NMR findings confirm this situation both in solid state and solution. Biological finding evidenced a clear cytotoxic action of the complexes in hepatocellular carcinoma cell cultures: one …

StereochemistryCell SurvivalAntineoplastic AgentsBiochemistryInorganic ChemistryHistonesHistone H3Organotin CompoundsCytotoxic T cellHumansViability assayCells CulturedMOSSBAUER SPECTROSCOPYOrganoTin(IV)biologyX-RAY DIFFRACTIONChemistryMössbauer spectroscopyValproic AcidESI-MSBiological activityAcetylationHep G2 CellsLigand (biochemistry)NMRHistoneBiochemistryApoptosisAcetylationSettore CHIM/03 - Chimica Generale E Inorganicabiology.proteinX-ray spectroscopy
researchProduct

Über polygermane

1984

Abstract The optimum conditions for selectively cleaving off two phenyl groups in Ge2Ph6 by trichloroacetic acid have been determined. Neither trihaloacetic acids nor HCl/AlCl3 nor reactive tetrahalides MCl4 are suitable reagents for cleaving one phenyl group alone. The 13C NMR chemical shifts of functional phenyl-mono- and -digermanes are given. The crystal structure of 1,2-bis(trichloroacetate)tetraphenyldigermane has been determined and refined to R = 0.048. The digermane bond is bridged by both acetates (distances GeGe 239.3(2), GeO 207.3(3) and 231.4(3) pm). The Ge atoms have trigonal bipyramidal coordination.

StereochemistryChemical shiftOrganic ChemistryCrystal structureNuclear magnetic resonance spectroscopyCarbon-13 NMRBiochemistryMedicinal chemistryInorganic ChemistryTrigonal bipyramidal molecular geometrychemistry.chemical_compoundchemistryMaterials ChemistryPhenyl groupMoleculePhysical and Theoretical ChemistryDigermaneJournal of Organometallic Chemistry
researchProduct

Nitramino, NRNO2 (R = H, CH3), as a substituent.13C and15N NMR spectroscopic study of nitraminobenzenes and -pyridines

1993

In order to clarify the special properties of the aryl-bound nitramino substituent NRNO 2 (R=H, CH 3 ), 13 C and 15 N NMR spectra of six nitraminobenzenes and nine nitraminopyridines were measured in DMSO-d 6 and their chemical shifts assigned. 1 H NMr chemical shifts and spin-spin coupling constants of all the compounds were also determined. In contrast to the behaviour of nitropyridines or -benzenes studied previously, most of the present compounds gave very broad 17 O NMR lines even at elevated temperatures and their 17 O NMR data were not useful for any reliable conclusions

StereochemistryChemical shiftSubstituentGeneral ChemistryNuclear magnetic resonance spectroscopyNmr dataMedicinal chemistryNMR spectra databasechemistry.chemical_compoundchemistryBenzene derivativesProton NMRNitroamineGeneral Materials ScienceMagnetic Resonance in Chemistry
researchProduct

On heterocyclic systems containing bismuth(III) 2. Eight-membered heterocycles Cl/Br/I-M(CH2CH2CH2)2X with lewis acidic group 15 atoms M  As, Sb, Bi…

1994

Abstract Paths to the ligands (Cl/Br-CH2CH2CH2)2NR/O/S/Se, R  Me, Bz, iPr, iBu, to the diGrignard reagents (Cl/BrMg-CH2CH2CH2)2NR/O/S, R  Me, Bz, iPr, iBu and to the eight-membered group 15 heterocycles (Cl/Br/I-As/Sb/Bi(CH2CH2CH2)2NR/S, R  Me, Bz, iBu are given. 13C-NMR, IR and Raman spectra are discussed; for the compound ClSb(CH2CH2CH2)2NMe the crystal structure analysis is given : the antimony atom is clearly Lewis acidic with ψ-trigonal-bipyramidal coordination and a transannular Sb⋯N interaction of 2.385(2) A. For such a configuration the values of the 13C-NMR chemical shifts of the α-CH2-groups (e.g. Cl-As/Sb/Bi(αCH2CH2CH2)2NMe 34.6, 25.9, 46.6 ppm) display clearly a sequence N > …

StereochemistryChemical shiftchemistry.chemical_elementCrystal structureBismuthInorganic ChemistryElectronegativityCrystallographysymbols.namesakechemistryAntimonyReagentAtomMaterials ChemistrysymbolsPhysical and Theoretical ChemistryRaman spectroscopyPolyhedron
researchProduct

Neo-clerodane diterpenoids from Scutellaria lateriflora

1998

Abstract Three new diterpenoids, scutelaterins A-C, have been isolated from Scutellaria lateriflora and their structures established as (11S,13S,16S)-2β,6α,19-triacetoxy-4α,18;11,16;15,16-triepoxy-neo-clerod-14-ene (scutelaterin A), (11S,13S,16S)-6α,19-diacetoxy-2β-(2′-methyl)butyryloxy-4α,18;11,16;15,16-triepoxy-neo-clerod-14-ene (scutelaterin B) and (11S,13S,15R and S)-6α,19-diacetoxy-2β-(2′-methyl)butyryloxy-4α,18;11,16;15,16-triepoxy-neo-clerodan-15-ol (scutelaterin C) by chemical and spectroscopic means. In addition, the already known neo-clerodanes ajugapitin and scutecyprol A were also found in the same source.

StereochemistryChemical structurePlant ScienceGeneral MedicineNuclear magnetic resonance spectroscopyHorticultureBiologyBiochemistryTerpenoidchemistry.chemical_compoundchemistryOrganic chemistryMoleculeSpectral analysisScutellaria laterifloraDiterpeneMolecular BiologyPhytochemistry
researchProduct

Synthesis and spectroscopic studies (Mo¨ssbauer, IR and NMR) of [R2SnCl2bipym] (R = butyl or phenyl) and the crystal and molecular structure of [Ph2S…

1994

Abstract The complexes [R 2 SnCl 2 bipym] (R = phenyl or butyl, bipym = 2,2′,6,6′-bipyrimidine) were synthesized and studied in solution by 1 H- and 13 C-NMR spectroscopy and in the solid state by IR and Mo¨ssbauer spectroscopy. The latter was also performed in frozen ethanolic solution. The structure of the phenyl complex was determined by single crystal diffraction methods. The value obtained for the angle C-SN-C in the phenyl compound is 169.3(2)° (X-ray) and 151° (Mo¨ssbauer), but the assignment of an octahedral configuration by Mo¨ssbauer spectroscopy is consistent with the structure determined by diffraction. The butyl complex is also octahedral and the two techniques show better agre…

StereochemistryChemistryCoordination numberOrganic ChemistryCrystal structureBiochemistryInorganic ChemistryCrystalNMR spectra databaseCrystallographyOctahedronX-ray crystallographyMaterials ChemistryMoleculePhysical and Theoretical ChemistrySpectroscopyJournal of Organometallic Chemistry
researchProduct