Search results for "405"

showing 10 items of 3208 documents

Chemoselective, Substrate-directed Fluorination of Functionalized Cyclopentane β-Amino Acids

2016

This work describes a substrate-directed fluorination of some highly functionalized cyclopentane derivatives. The cyclic products incorporating CH2 F or CHF2 moieties in their structure have been synthesized from diexo- or diendo-norbornene β-amino acids following a stereocontrolled strategy. The synthetic study was based on an oxidative transformation of the ring carbon-carbon double bond of the norbornene β-amino acids, followed by transformation of the resulted "all cis" and "trans" diformyl intermediates by fluorination with "chemodifferentiation".

molecular diversitycyclizationDouble bondHalogenationHydrocarbons FluorinatedStereochemistryMolecular Conformationchemistry.chemical_elementCyclopentanes010402 general chemistryRing (chemistry)Crystallography X-Ray01 natural sciencesBiochemistrychemistry.chemical_compoundfluorineCyclopentaneta116Norbornenechemistry.chemical_classificationamino acidssubstituent effects010405 organic chemistryOrganic ChemistrySubstrate (chemistry)StereoisomerismGeneral Chemistry0104 chemical sciencesAmino acidchemistryFluorineOxidation-ReductionChemistry: An Asian Journal
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Structures and energetic properties of 4-halobenzamides

2018

The amide bond represents one of the most fundamental functional groups in chemistry. The properties of amides are defined by amidic resonance (nN→π*C=O conjugation), which enforces planarity of the six atoms comprising the amide bond. Despite the importance of 4-halo-substituted benzamides in organic synthesis, molecular interactions and medicinal chemistry, the effect of 4-halo-substitution on the properties of the amide bond in N,N-disubstituted benzamides has not been studied. Herein, we report the crystal structures and energetic properties of a full series of 4-halobenzamides. The structures of four 4-halobenzamides (halo = iodo, bromo, chloro and fluoro) in the N-morpholinyl series h…

morpholinyl amidescrystal structure010405 organic chemistryCrystal structure010402 general chemistryCondensed Matter PhysicsRing (chemistry)Resonance (chemistry)01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryresonance energiestwisted amidesMorpholineAmideamide bondsHalogenMaterials ChemistryPeptide bondOrganic synthesisPhysical and Theoretical ChemistryActa Crystallographica Section C Structural Chemistry
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Rational Chemical Multifunctionalization of Graphene Interface Enhances Targeted Cancer Therapy

2020

The synthesis of a drug delivery platform based on graphene was achieved through a step‐by‐step strategy of selective amine deprotection and functionalization. The multifunctional graphene platform, functionalized with indocyanine green, folic acid, and doxorubicin showed an enhanced anticancer activity. The remarkable targeting capacity for cancer cells in combination with the synergistic effect of drug release and photothermal properties prove the great advantage of a combined chemo‐ and phototherapy based on graphene against cancer, opening the doors to future therapeutic applications of this type of material.

multifunctionalizationCarbon materialsCancer therapyAntineoplastic AgentsNanotechnology[CHIM.THER]Chemical Sciences/Medicinal Chemistry010402 general chemistry01 natural sciencesCatalysislaw.inventionDrug Delivery SystemslawCell Line TumorNeoplasmsmedicineHumanscancerDoxorubicindiazonium saltsCàncerMaterialsComputingMilieux_MISCELLANEOUSgraphite010405 organic chemistryGrapheneChemistryCancerGeneral MedicineGeneral ChemistryPhotothermal therapymedicine.disease0104 chemical sciencesDrug deliveryCancer cellSurface modificationmedicine.drugAngewandte Chemie International Edition
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A Catalyst Designed for the Enantioselective Construction of Methyl- and Alkyl-Substituted Tertiary Stereocenters

2015

Tertiary methyl-substituted stereocenters are present in numerous biologically active natural products. Reported herein is a catalytic enantioselective method for accessing these chiral building blocks using the Mukaiyama-Michael reaction between silyl ketene thioacetals and acrolein. To enable remote enantioface control on the nucleophile, a new iminium catalyst, optimized by three-parameter tuning and by identifying substituent effects on enantioselectivity, was designed. The catalytic process allows rapid access to chiral thioesters, amides, aldehydes, and ketones bearing an α-methyl stereocenter with excellent enantioselectivities, and allowed rapid access to the C4-C13 segment of (-)-b…

natural productsSubstituentKetene010402 general chemistry01 natural sciencesCatalysisStereocenterchemistry.chemical_compoundNucleophileOrganic chemistryorganocatalysista116Alkylchemistry.chemical_classification010405 organic chemistryChemistryEnantioselective synthesisIminiumasymmetric catalysisGeneral MedicineGeneral Chemistrydiastereoselectivity0104 chemical sciences3. Good healthOrganocatalysisdensity functional calculationsAngewandte Chemie International Edition
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Binding abilities of polyaminocyclodextrins: polarimetric investigations and biological assays.

2017

Three polyaminocyclodextrin materials, obtained by direct reaction between heptakis(6-deoxy-6-iodo)-β-cyclodextrin and the proper linear polyamines, were investigated for their binding properties, in order to assess their potential applications in biological systems, such as vectors for simultaneous drug and gene cellular uptake or alternatively for the protection of macromolecules. In particular, we exploited polarimetry to test their interaction with some model p-nitroaniline derivatives, chosen as probe guests. The data obtained indicate that binding inside the host cavity is mainly affected by interplay between Coulomb interactions and conformational restraints. Moreover, simultaneous i…

nitroanilineaminocyclodextrins; binding properties; nitroanilines; pDNA; polarimetry; supramolecular chemistrySupramolecular chemistryaminocyclodextrins010402 general chemistry01 natural sciencesFull Research Papersupramolecular chemistryaminocyclodextrinlcsh:QD241-441lcsh:Organic chemistrypDNABioassaybinding propertielcsh:Sciencepolarimetry010405 organic chemistryChemistryBinding propertiesOrganic ChemistryCationic polymerizationnitroanilines0104 chemical sciencesChemistrybinding propertiesPolynucleotideBiophysicslcsh:QpUC19Direct reactionMacromoleculeBeilstein journal of organic chemistry
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Asymmetric Organocatalytic Synthesis of 4-Aminoisochromanones via a Direct One-Pot Intramolecular Mannich Reaction

2016

Synthesis 48(24), 4451 - 4458(2016). doi:10.1055/s-0035-1562522

one-pot reaction010405 organic chemistryChemistryOrganic Chemistryasymmetric synthesisEnantioselective synthesis010402 general chemistry54001 natural sciencesMedicinal chemistryCatalysis0104 chemical sciencesCatalysisIntramolecular forceOne pot reactionOrganocatalysisddc:540isochromanonesMannich reactionOrganic chemistryAmine gas treatingStereoselectivityorganocatalysisMannich reactionorganocatalysis; one-pot reaction; asymmetric synthesis; isochromanones; Mannich reaction
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Donor-π-acceptors containing the 10-(1,3-dithiol-2-ylidene)anthracene unit for dye-sensitized solar cells

2012

Two donor-acceptor molecular tweezers incorporating the 10-(1,3-dithiol-2-ylidene)anthracene unit as donor group and two cyanoacrylic units as accepting/anchoring groups are reported as metal-free sensitizers for dye-sensitized solar cells. By changing the phenyl spacer with 3,4-ethylenedioxythiophene (EDOT) units, the absorption spectrum of the sensitizer is red-shifted with a corresponding increase in the molar absorptivity. Density functional calculations confirmed the intramolecular charge-transfer nature of the lowest-energy absorption bands. The new dyes are highly distorted from planarity and are bound to the TiO(2) surface through the two anchoring groups in a unidentate binding for…

optical propertiesAbsorption spectroscopypigments010402 general chemistryPhotochemistrydyes01 natural sciences7. Clean energyCatalysischemistry.chemical_compound[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUSAnthracene010405 organic chemistryOrganic ChemistryDithiolGeneral ChemistryMolar absorptivity0104 chemical sciencesDye-sensitized solar cellchemistryIntramolecular forcesensitizerssolar cellsAbsorption (chemistry)absorptionMolecular tweezers
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4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile

2008

In the solid state, the title compound, C(22)H(10)N(2)S, forms centrosymmetric dimers by pairs of non-classical C-H⋯S hydrogen bonds linking approximately coplanar mol-ecules. The benzene ring involved in this inter-action makes a dihedral angle of only 7.21 (16)° with the thio-phene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an inter-planar spacing of 3.44 Å. C-H⋯N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each mol-ecule thus inter-acts with 12 adjacent mol-ecules, five of them approaching closer than the sum of the van …

optoelectronicsmolecular electronicsSolid-state.Dihedral angle010402 general chemistryRing (chemistry)BioinformaticsOrganic Papers01 natural sciencesnanoelectronicsFaculdade de Ciências Exatas e da Engenhariasymbols.namesakechemistry.chemical_compound44000-[Thiophene-25-diylbis(ethyne-21diyl)]dibenzonitrilePerpendicularPhysics::Atomic and Molecular ClustersGeneral Materials ScienceVan der Waals radiusPhysics::Chemical PhysicsBenzene010405 organic chemistryChemistryHydrogen bondGeneral ChemistryCondensed Matter Physics3. Good health0104 chemical sciencesCrystallographysymbolsorganic compoundsActa Crystallographica Section E: Crystallographic Communications
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New charge transfer salts of two organic π-donors of the tetrathiafulvalene type with the paramagnetic [Cr(NCS)6]3- anion

2003

cited By 9; International audience; The electrochemical combination of the paramagnetic anion [Cr(NCS)6]3- with the organic π-donors bis(ethylenedithio)tetrathiafulvalene (ET) and 4,5-bis(2-hydroxyethylthio) -4′,5′-ethylenedithiotetrathiafulvalene (DHET-EDTTTF) leads to two new radical cation salts, namely (ET)4 [Cr(NCS 6]·PhCN 1 and (DHET-EDTTTF)2 (NEt4)[Cr(NCS)6] 2. Both have been characterized by X-ray crystallography, magnetic and resistivity measurements. The structure of 1 consists of alternating inorganic layers generated by the anions and organic layers in which the PhCN molecules are inserted; the organic sub-lattice is built up from four different ET units, three of them with a ch…

organic compoundStereochemistryGeneral Chemical EngineeringDimerCrystal structure010402 general chemistry01 natural scienceschromium derivativeParamagnetismchemistry.chemical_compoundtetrathiafulvalene derivativeMolecule[CHIM]Chemical Sciencescontrolled studyradical010405 organic chemistryferromagnetic materialarticleCharge densityGeneral ChemistryanionX ray crystallographysemiconductordimerMagnetic susceptibility0104 chemical sciencescationinorganic compoundCrystallographyRadical ionchemistryelectrochemistrymagnetismchemical structureroom temperatureTetrathiafulvaleneconductanceenergy
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Direct P-functionalization of azobenzene by a cationic phosphidozirconocene complex.

2016

International audience; We report that the cationic phosphidozirconocene complex [(eta(5)-C5H5)(2)Zr(PCy2)][CH3B(C6F5)(3)] (II) reacts with azobenzene, resulting in the expedient formation of Zr complex (2) bound to a tridentate PNN ligand. This reaction proceeds by a mechanism of cooperative nucleophilic substitution of hydrogen. The intermediate sigma(H) adduct (1) has been characterized by NMR spectroscopy.

ortho-acylationHydrogenaromatic azo-compoundschemistry.chemical_element[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryBioinformatics01 natural sciences[ CHIM ] Chemical SciencesAdductalcoholsInorganic Chemistrychemistry.chemical_compoundc-h functionalizationPolymer chemistryNucleophilic substitution[CHIM]Chemical Sciences010405 organic chemistryChemistryLigandCationic polymerizationcinnolinium salts[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryNuclear magnetic resonance spectroscopy0104 chemical sciences3. Good healthAzobenzeneazoxybenzenesalpha-oxocarboxylic acidsazoareneshydrogennucleophilic-substitutionSurface modificationDalton transactions (Cambridge, England : 2003)
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