Search results for "Spectroscopy"

showing 10 items of 10293 documents

Conformational polymorphism and amphiphilic properties of resorcinarene octapodands

2010

o-Nitroaniline functionalized resorcinarene octapodands 1-5 with pendant methyl, ethyl, pentyl, nonyl or 1-decenyl groups, respectively, were synthesized and their structural properties investigated using X-ray crystallography and NMR spectroscopy. The upper rim of each podand is identical containing flexible side arms, in which rotation around the -OCH(2)CH(2)N- linkers create excellent possibilities for polymorphism. Two conformational polymorphs of acetone solvate of 2 were identified containing different side arm orientation and crystal packing. Compound 1 crystallized from acetone and nitromethane yielding two pseudopolymorphs with different packing motifs. The longer alkyl chains of 3…

chemistry.chemical_classificationChemistryOrganic ChemistryNuclear magnetic resonance spectroscopyResorcinareneCrystal engineeringBiochemistryNitroanilinePolymorphism (materials science)AmphiphilePolymer chemistryMonolayerPhysical and Theoretical Chemistryta116AlkylOrganic & Biomolecular Chemistry
researchProduct

Configuration of Enolates of β-Ketocarboxylic Acid Esters — Carbocation-Carbanion Salts

1996

Deprotonation of (Z)- or (E)-3-hydroxy-2,3-dimesitylpropenoic acid methyl ester (1a) with tetrakis(dimethylamino)-methane (3) led to stable salt (E)-2a, which belongs to a very rare species of salts that consist of a heteroatom-stabilized carbocation and a heteroatom-stabilized carbanion. An analogous guanidinium salt (E)-2b was formed in the reaction of 3-oxo-2,3-diphenylpropanoic acid methyl ester (1b) and 3. The molecular structures of these enolates were studied by NMR spectroscopy and an X-ray analysis of (E)-2a {MC[N(CH3)2]3} and compared with those of the corresponding alkali enolates.

chemistry.chemical_classificationChemistryOrganic ChemistrySalt (chemistry)General ChemistryNuclear magnetic resonance spectroscopyCarbocationAlkali metalMedicinal chemistryMethanechemistry.chemical_compoundDeprotonationOrganic chemistryPhysical and Theoretical ChemistryX ray analysisCarbanionLiebigs Annalen
researchProduct

Noncovalent molecular imprinting: antibody-like molecular recognition in polymeric network materials

1997

Abstract Molecular imprinting techniques allow the preparation of polymeric receptors which bind small molecules with affinities and selectivities of the same order as those observed in the binding of antigens by antibodies. The molecular imprinting technology has now reached a stage where the commercial use of imprinted materials is being assessed, notably for separations requiring strong and selective binding of small molecules. This development is driven by the potential advantages of polymeric receptors over biological in terms of stability, capacity, cost and ease of preparation. In this short review the state of the art of noncovalent imprinting is summarised indicating a few areas in…

chemistry.chemical_classificationChemistryPolymerCombinatorial chemistryAffinitiesSmall moleculeAnalytical ChemistryMolecular recognitionPolymer chemistryMoleculeSurface modificationImprinting (psychology)Molecular imprintingSpectroscopyTrAC Trends in Analytical Chemistry
researchProduct

Radiosynthesis of (±)-(2-((4-(2-[18F]fluoro-ethoxy)phenyl)bis(4-methoxy-phenyl)methoxy)ethylpiperidine-3-carboxylic acid: a potential GAT-3 PET ligan…

2001

A dysfunction of GABAergic neurotransmission is related to diseases such as epilepsy, Huntington-disease and Parkinson-syndrome. A new 18F-fluorine labelled GABA transporter ligand for the GABA-transporter subtype GAT-3 was developed which may allow the in vivo visualisation of GABAergic neurotransmission. The precursors ethyl (2-(4-hydroxyphenyl)bis(4-methoxyphenyl)-methoxy)ethyl)-piperidine-3-carboxylate and ethyl(2-((4-(2-tosylethoxy)phenyl)-bis(4-methoxyphenyl)-methoxy) ethyl)-piperidine3-carboxylate were synthesised and labelled by the use of 2-[18F]fluoroethyltosylate or [18F]fluoride. Subsequent cleavage of the ester moiety gave the final product (±)-(2-((4-(2-[18F]fluoroethoxy)pheny…

chemistry.chemical_classificationChemistryStereochemistryCarboxylic acidOrganic ChemistryRadiosynthesisLigand (biochemistry)BiochemistryChemical synthesisAnalytical ChemistryIn vivoDrug DiscoveryAlkoxy groupMoietyRadiology Nuclear Medicine and imagingSpectroscopyEx vivoJournal of Labelled Compounds and Radiopharmaceuticals
researchProduct

Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3…

2009

Reaction of the racemic [Pd(C(6)H(4)PPh(2))Br](4) () with the silver salt of 1R-(1alpha,2beta,3alpha)]-3-methyl-2-(nitromethyl)-5-oxocyclopentaneacetate, (R)-AgO(2)CR*, results in the formation of a mixture of diastereoisomers (RRR)- and (SRR)- of the formula Pd(2)(C(6)H(4)PPh(2))(2)(O(2)CR*)(2) that were separated by standard chromatographic methods. Each diastereoisomer was readily converted into the tetrametallic stereoisomers (SS)- and (RR)-, of the formula [Pd(C(6)H(4)PPh(2))Br](4) that were isolated and characterized by X-ray crystallography. The R enantiomer of the solvated cationic species [cis-Pd(2)(C(6)H(4)PPh(2))(2)(NCCH(3))(4)](2+), obtained from (RR)-, was reacted with ammonium…

chemistry.chemical_classificationChemistryStereochemistryCationic polymerizationDiastereomerSalt (chemistry)chemistry.chemical_elementInorganic Chemistrychemistry.chemical_compoundEnantiopure drugAmmonium31p nmr spectroscopyEnantiomerPalladiumDalton Transactions
researchProduct

Synthesis, Spectroscopic, and Structural Investigation of the Cyclic [N(PR2E)2]+ Cations (E = Se, Te; R = iPr, Ph):  the Effect of Anion and R-Group …

2006

Two-electron oxidation of the [N(PiPr2E)2]- anion with iodine produces the cyclic [N(PiPr2E)2]+ (E =Se, Te) cations, which exhibit long E-E bonds in the iodide salts [N(PiPr2Se)2]I (4) and [N(PiPr2Te)2]I (5). The iodide salts 4 and 5 are converted to the ion-separated salts [N(PiPr2Se)2]SbF6 (6) and [N(PiPr2Te)2]SbF6 (7) upon treatment with AgSbF6. Compounds 4-7 were characterized in solution by multinuclear NMR, vibrational, and UV-visible spectroscopy supported by DFT calculations. A structural comparison of salts 4-7 and [N(PiPr2Te)2]Cl (8) confirms that the long E-E bonds in 4, 5, and 8 can be attributed primarily to the donation of electron density from a lone pair of the halide counte…

chemistry.chemical_classificationChemistryStereochemistryDimerIodideHalideNuclear magnetic resonance spectroscopyMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundPhysical and Theoretical ChemistryCounterionLone pairHOMO/LUMODerivative (chemistry)Inorganic Chemistry
researchProduct

Synthesis of C1-[18F]fluoroethylamnino asparagine for imaging cancer

2001

C1-[18F]fluoroethylamino asparagine was synthesised from N1-t-boc C1-p-nitrophenol asparagine and the radiolabelled precursor [18F]flouroethylamine in a one-pot-synthesis. The yield of this synthesis was 22% referring to [18F]fluoride, including the removal of the protection groups. The in vivo tests are in progress.

chemistry.chemical_classificationChemistryStereochemistryOrganic ChemistryCancermedicine.diseaseBiochemistryIn vivo testsAnalytical ChemistryAmino acidchemistry.chemical_compoundYield (chemistry)Drug DiscoverymedicineOrganic chemistryRadiology Nuclear Medicine and imagingAsparagineFluorideSpectroscopyJournal of Labelled Compounds and Radiopharmaceuticals
researchProduct

Bis(triorganometal) and diorganometal 1,3-dithiolates (R3M)2(C6H3XS2) and R2M(C6H3XS2) (M = Sn, Pb; X= H, Cl)

1984

Abstract Bis(triorganometal) and diorganometal 1,3-dithiolates (R3M)2(C6H3XS2) (C6H5XS2 1,3-dithiobenzene (for X = H) or 1,3-dithio-4-chlorobenzene (for X = Cl); M = Sn, X = Cl, R = CH3, C6H5; M = Pb, X = H, Cl, R = CH3, C2H5) and R2M(C6H3XS2) (R = CH3, C2H5, C6H5; M = Sn, X = Cl; M = Pb, X = H, Cl) have been prepared as the first organometal IVB derivatives of 1,3-dithiols, and investigated by vibrational, 1H NMR, and (in the case of organotin compounds) Mossbauer spectroscopy. The triorganometal derivatives are monomeric and the diorganometal derivatives dimeric in solution (37° C). For the latter a twelve-membered ring structure is proposed for both solution and the solid state.

chemistry.chemical_classificationChemistryStereochemistryOrganic ChemistryDithiolNuclear magnetic resonance spectroscopyRing (chemistry)BiochemistryInorganic Chemistrychemistry.chemical_compoundCrystallographyMonomerMössbauer spectroscopyMaterials ChemistryProton NMRMoleculePhysical and Theoretical ChemistryInorganic compoundJournal of Organometallic Chemistry
researchProduct

Complexes of organometallic compounds XXXIII. The coordination chemistry of dimethyl and diphenylthallium(III) ith tridentate ligands

1973

Summary Several novel complexes Na[Me 2 TIL] and Na[Ph 2 TIL] (L 2− =dianion tridentate ligands with S, N, and O donor atoms) were synthesized, and investigated by infrared spectroscopy in the solid state, and by electronic and PMR spectroscopy in solution. Suggestions for the configuration of the complex anions are advanced and the nature of species present in solution is discussed.

chemistry.chemical_classificationChemistryStereochemistryOrganic ChemistrySolid-stateInfrared spectroscopyBiochemistryCoordination complexInorganic ChemistryPolymer chemistryMaterials ChemistryPhysical and Theoretical ChemistrySpectroscopyGroup 2 organometallic chemistryJournal of Organometallic Chemistry
researchProduct

Über polystannane

1987

Abstract The three compounds Ph4Sn2(X3CCO2)2 were synthesized from Ph2SnH2 and X3CCOOH (X = H, Cl) or by cleavage of two phenyl groups in Ph6Sn2 with Stoichiometric amounts of X3CCOOH (X = Cl, F). The crystal structures (R = 0.041, 0.030, 0.058) show that the Ph4Sn2 units are bridged by two isobidentate acetates resulting in five-coordinated tin atoms. Five crystallographically independent centrosymmetric molecules form three distinct conformers. Bonding parameters (compared with Ph6Sn2): distances d(SnSn) 269, 271, 272, 277 pm; NMR couplings (CDCl3 solution) 1J(SnSn) 16870, 9443, 12915, 4480 Hz; stretching vibrations ν(SnSn) 152, 155, 157, 159 cm−. The ion pairs [Ph4Sn2]2+ [(X3CCO2)2]2−…

chemistry.chemical_classificationChemistryStereochemistryOrganic Chemistrychemistry.chemical_elementNuclear magnetic resonance spectroscopyCrystal structureBiochemistryInorganic ChemistryCrystallographyX-ray crystallographyMaterials ChemistryMoleculePhysical and Theoretical ChemistryTinConformational isomerismInorganic compoundStoichiometryJournal of Organometallic Chemistry
researchProduct