Search results for " molecule"

showing 10 items of 1523 documents

ChemInform Abstract: trans- and cis-Bicyclo(n.1.0)alk-2-ynes of Medium Ring Size.

2010

Starting from cycloalkenes, the cis- or trans-cyclopropano anellated cycloalkynes 2–7 of medium ring size were synthesized. The triple bonds were introduced in the final reaction step either by the fragmentation of the corresponding 1,2,3-selenadiazoles or by direct dehydration of a ketone (Scheme 2). The cis-fused bicycles 2 and 3 and the trans-fused bicycles 5, 6 and 7 could be isolated in a pure state. The intermediary existence of the most strained system trans-bicyclo[7.1.0]dec-2-yne (4) was proven by trapping reactions.

chemistry.chemical_classificationRing sizeKetoneBicyclic moleculeFragmentation (mass spectrometry)chemistryReaction stepGeneral MedicineTriple bondMedicinal chemistryChemInform
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trans- andcis-Bicyclo[n.1.0]alk-2-ynes of Medium Ring Size

1997

Starting from cycloalkenes, the cis- or trans-cyclopropano anellated cycloalkynes 2–7 of medium ring size were synthesized. The triple bonds were introduced in the final reaction step either by the fragmentation of the corresponding 1,2,3-selenadiazoles or by direct dehydration of a ketone (Scheme 2). The cis-fused bicycles 2 and 3 and the trans-fused bicycles 5, 6 and 7 could be isolated in a pure state. The intermediary existence of the most strained system trans-bicyclo[7.1.0]dec-2-yne (4) was proven by trapping reactions.

chemistry.chemical_classificationRing sizeKetonechemistryBicyclic moleculeFragmentation (mass spectrometry)Reaction stepOrganic ChemistryNanotechnologyGeneral ChemistryPhysical and Theoretical ChemistryTriple bondMedicinal chemistryLiebigs Annalen
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Self-Diffusion of Small Molecules into Rubbery Polymers: A Lattice Free-Volume Theory

2010

In the framework of the Free Volume Theory, a new equation was derived for the evaluation of self-diffusion coefficients of small molecules in polymers above the mixture glass transition temperature. The derivation of the equation turned out to be straightforward once the equivalence between the free-volume and the unoccupied volume given by Thermodynamic Lattice Theories is assumed. A parameter evaluation scheme is proposed, which is substantially simpler compared to the conventional Vrentas-Duda approach, even without losing generality. The key assumption is discussed and its consistency is verified from a numerical viewpoint. A comparison with experimental solvent self-diffusion coeffici…

chemistry.chemical_classificationSelf-diffusionPolymers and PlasticsChemistrydiffusionThermodynamicsConcentration effectBinary numbermodelingPolymerCondensed Matter PhysicsSmall moleculeAmorphous solidfree-volumethermodynamicLattice (order)Materials ChemistryamorphouPhysical and Theoretical ChemistryGlass transition
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Watching the photo-oxidation of a single aromatic hydrocarbon molecule

2001

International audience; The photooxidation of single dye molecules (see scheme) can be followed by confocal fluorescence microscopy. The self-sensitized reaction with singlet oxygen leads to a suite of products, which may be differentiated spectrally. Tentative structures for certain photoproducts have been obtained from quantum-chemical calculations.

chemistry.chemical_classificationSingle-molecule spectroscopyphotochemistryChemistrySinglet oxygenConfocalGeneral ChemistryPhotochemistryCatalysisFluorescence spectroscopySingle Molecule Spectroscopychemistry.chemical_compoundbiological sciencesFluorescence microscopeMolecule[CHIM]Chemical SciencesPhysics::Chemical PhysicsAromatic hydrocarbonFluorescence spectroscopy
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New Triterpene Saponins fromAcanthophyllum pachystegium

2004

Four new triterpenoid saponins, pachystegiosides A (1), B (2), C (3), and D (4), were isolated from the roots of Acanthophyllum pachystegium K. H. Their structures were elucidated by means of a combination of homo- and heteronuclear 2D-NMR techniques (COSY, TOCSY, NOESY, HSQC, and HMBC) and by FAB-MS. The new compounds were characterized as 3-O-{O-β-D-galactopyranosyl-(12)-O-[β-D-xylopyranosyl-(13)]-β-D-glucuronopyranosyl}quillaic acid 28-{O-β-D-xylopyranosyl-(13)-O-β-D-xylopyranosyl-(14)-O-α-L-rhamnopyranosyl-(12)-O-[3,4-di-O-acetyl-β-D-quinovopyranosyl-(14)]-β-D-fucopyranosyl}ester (1), 3-O-{O-β-D-galactopyranosyl-(12)-O-[β-D-xylopyranosyl-(13)]-β-D-glucuronopyranosyl}quillaic acid 28-{O-…

chemistry.chemical_classificationStereochemistryOrganic ChemistryBiochemistryCatalysisInorganic ChemistryQuillaic acidTriterpenoidTriterpenechemistryHeteronuclear moleculeAcanthophyllum pachystegiumDrug DiscoveryPhysical and Theoretical ChemistryTwo-dimensional nuclear magnetic resonance spectroscopyHeteronuclear single quantum coherence spectroscopyHelvetica Chimica Acta
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Reaktionen von Benzothiet mit Iminen

1993

Reactions of Benzothiete with Imines A great variety of compounds 3a–w containing CN double bonds was studied in the reaction with benzothiete (1). H, alkyl, aryl, OR, SR and NR groups can be attached to the imino function. The azomethines 3a–f, the thiazolines 3g–i, the lactim 3n, the oximes 3r–t, the isoxazolinone 3u and the azine 3v show [8π + 2π] cycloaddition reactions yielding derivatives of 1,3-benzothiazine (4a–i, n, r–v). In the case of 4n, s, t secondary reactions occur, initiated by elimination processes. [8π + 2π] Cycloadditions account also for the reactions 3e 10, 11, 3o 18(I), and 3q 19; however, CC double bonds are representing the 2π component in these examples. The thiazol…

chemistry.chemical_classificationSteric effectsBicyclic moleculeDouble bondChemistryStereochemistryThiazolineOrganic ChemistryHydrazoneTautomerMedicinal chemistryCycloadditionAzinechemistry.chemical_compoundPhysical and Theoretical ChemistryLiebigs Annalen der Chemie
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ChemInform Abstract: Asymmetric Synthesis of Bicyclic Amino Acid Derivatives by Aza-Diels- Alder Reactions in Aqueous Solution.

2010

Derivatives 7–10 and 13–16 of methyl and ethyl 2-azabicyclo[2.2.1]heptane-3-carboxylates are synthesized by Aza-Diels-Alder reactions of chiral iminium ions, formed in situ from glyoxylic acid and chiral amines, with cyclopentadiene. Whereas the heterodienophiles derived from phenylglycinol and esters of sterically more demanding amino acids fail to undergo asymmetric cycloadditions, with alanine methyl ester and (R)-1-phenylethylamine hydrochoride the cycloadducts are formed in yields of 15 and 52%, respectively, reaching de values of up to 90:10 for the exo isomers.

chemistry.chemical_classificationSteric effectschemistry.chemical_compoundAqueous solutionCyclopentadieneBicyclic moleculeChemistryEnantioselective synthesisIminiumGeneral MedicineMedicinal chemistryGlyoxylic acidAmino acidChemInform
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Mechanism of the Oxidation of Sulfides by Dioxiranes. 1. Intermediacy of a 10-S-4 Hypervalent Sulfur Adduct

2002

Earlier studies established that dimethyldioxirane (1a) reacts with sulfides 2 in two consecutive concerted electrophilic oxygen-transfer steps to give first sulfoxides 3 and then sulfones 4. The same sequential electrophilic oxidation model was assumed for the reaction of sulfides 2 with the strongly electrophilic methyl(trifluoromethyl)dioxirane (1b). In this paper we report on a systematic and general study on the mechanism of the reaction of simple sulfides 2 with DMDO (1a) and TFDO (1b) which provides clear evidence for the involvement of hypervalent sulfur species in the oxidation process. In the oxidation of sulfides 2a-c, diphenyl sulfide (2d), para-substituted aryl methyl sulfides …

chemistry.chemical_classificationSulfideTemperatureHypervalent moleculechemistry.chemical_elementSulfoxideGeneral ChemistryReaction intermediateSulfidesBiochemistryMedicinal chemistrySulfurCatalysisSulfonechemistry.chemical_compoundColloid and Surface ChemistrychemistryDioxiraneOxygen RadioisotopesSolventsEpoxy CompoundsOrganic chemistryDimethyldioxiraneOxidation-ReductionSulfurJournal of the American Chemical Society
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Reaktion von elektronenreichen Heterocyclen mit Orthocarbonsäure-Derivaten, 12. Formylierung von Vinylindolen mit Diethoxycarbenium-tetrafluoroborat

1988

Reactions of Electron-Rich Heterocycles with Orthocarboxylic Acid Derivatives, 12. – Formylation of Vinylindoles with Diethoxycarbenium Tetrafluoroborate 2- and 3-vinylindoles 1, 3 are formylated with diethoxycarbenium tetrafluoroborate regioselectively. The significant selectivity and reactivity of formylation of diethoxycarbenium ion in comparison with other thermodynamically more stable dialkoxycarbenium ions are compatible with the known results of hetaryl functionalisation with orthocarboxylic acid derivatives.

chemistry.chemical_classificationTetrafluoroborateBicyclic moleculeOrganic ChemistryRegioselectivityAldehydeMedicinal chemistryFormylationchemistry.chemical_compoundchemistryOrganic chemistryReactivity (chemistry)Physical and Theoretical ChemistrySelectivityLiebigs Annalen der Chemie
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A novel and selective fluoride opening of aziridines by XtalFluor-E. synthesis of fluorinated diamino acid derivatives.

2015

The selective introduction of fluorine onto the skeleton of an aminocyclopentane or cyclohexane carboxylate has been developed through a novel and efficient fluoride opening of an activated aziridine ring with XtalFluor-E. The reaction proceeded through a stereoselective aziridination of the olefinic bond of a bicyclic lactam and regioselective aziridine ring opening with difluorosulfiliminium tetrafluoroborate with the neighboring group assistance of the sulfonamide moiety to yield fluorinated diamino acid derivatives. The method based on the selective aziridine opening by fluoride has been generalized to afford access to mono- or bicyclic fluorinated substances.

chemistry.chemical_classificationTetrafluoroborateBicyclic moleculesynthesisOrganic ChemistryRegioselectivitycarboxylatesAziridineBiochemistryMedicinal chemistrySulfonamidechemistry.chemical_compoundchemistryaziridinesfluorineLactamMoietyOrganic chemistryPhysical and Theoretical ChemistryFluorideta116Organic letters
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