Search results for "ALK"

showing 10 items of 4314 documents

Alkane dehydrogenation on defective BN quasi-molecular nanoflakes: DFT studies

2020

Lower alkanes are feedstocks readily available but relatively inert. The con- version of low cost alkanes to industrially relevant alkenes is usually carried out on metal-based heterogeneous catalysts. Considering both the cost and the potential harmfulness of the metal involved in the dehydrogenation cat- alysts (typically, platinum or chromium), the study of metal-free processes represents an important challenge for the industrial chemistry in order to address more sustainable protocols and different routes either to activate or transform alkanes. Framed in this context, it was investigated, using a den- sity functional theory approach, the potential dehydrogenation activity of de- fectiv…

chemistry.chemical_classificationAlkaneMaterials science010405 organic chemistryProcess Chemistry and Technologychemistry.chemical_elementContext (language use)010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundHydrocarbonchemistryChemical engineeringBoron nitrideSettore CHIM/03 - Chimica Generale E InorganicaDehydrogenationPhysical and Theoretical ChemistryPlatinumBoronMetal-free processes Low cost alkanes conversion Quasi-molecular BN nanoflakes DFT modeling
researchProduct

Phase transitions in some n-alkanes and petroleum waxes — investigation by photoacoustic and exoelectron emission techniques

2000

Abstract The use of the photoacoustic (PA) effect and photostimulated exoelectron emission (EEE) technique in the investigation of first- and second-order phase transitions in pure n -alkanes such as n -C 22 , n -C 28 and n -C 32 and in three petroleum waxes having different carbon number distributions, have been examined. Changes in the amplitude and phase of the PA signal with temperature and the temperature dependence of the intensity of photostimulated EEE across the phase transitions have been measured. These measurements have shown that both the polymorphic phase transitions and melting of these hydrocarbons are accompanied by jumps or peaks of the PA amplitude and phase and EEE inten…

chemistry.chemical_classificationAlkanePhase transitionTransition temperatureAnalytical chemistryCondensed Matter PhysicsHydrocarbonchemistryDifferential thermal analysisPhase (matter)Physical and Theoretical ChemistryInstrumentationPhotoacoustic spectroscopyExoelectron emissionThermochimica Acta
researchProduct

Characterization of waxes used in pictorial artworks according to their relative amount of fatty acids and hydrocarbons by gas chromatography.

2005

A study attempted to characterize natural waxes used in pictorial works of art was carried out by means of gas chromatography. The analytical treatment requires prior hydrolysis of the waxes to release the fatty acids (FA) (myristic (myr), palmitic (pal), oleic (ole), stearic (ste), araquidic (ara), behenic (beh), lignoceric (lig), cerotic (cer)) from the main esters of the waxes. The formation of volatile derivatives of the fatty acids was carried out by derivatization with ethyl choroformate (ECF). This derivatization reagent was chosen due to the speed, safety and quantitativity of the reaction. The analyzed hydrocarbons were n-eicosane, n-heneicosane, n-docosane, n-tricosane, n-tetracos…

chemistry.chemical_classificationAlkaneWaxChromatographyChromatography GasChemistryOrganic ChemistryFatty AcidsGeneral MedicineCeresinBiochemistryHydrocarbonsAnalytical ChemistryPalmitic acidchemistry.chemical_compoundHydrocarbonvisual_artWaxesvisual_art.visual_art_mediumOrganic chemistryPaintingsGas chromatographyCarnauba waxDerivatizationJournal of chromatography. A
researchProduct

Acidic Ionic Liquids as Composite Forming Additives for Ion-conducting Materials

2013

This paper represents the material conductivity investigation of several AILs (Acidic Ionic Liquids) containing an alkane sulfonic acid group covalently bonded to pyridine and N–alkylimidazole cations. Three different anions (HSO4-, H2PO4- and TsO-) have been introduced in the structure of ionic liquids to evaluate the impact of this factor on material conductivity. Ion conductivity values in all studied ionic liquids obtained from impedance measurements in temperature range from 20 to 120 °C. Values of electroconductivity depending on ionic liquid's structure vary in rage from 1.3410−5 to 1.0510−2 S/cm at 25 °C.

chemistry.chemical_classificationAlkanechemistry.chemical_compoundchemistryIonic liquidInorganic chemistryPyridineComposite numberConductivitySulfonic acidAtmospheric temperature rangeIonIOP Conference Series: Materials Science and Engineering
researchProduct

An analysis of the regioselectivity of 1,3-dipolar cycloaddition reactions of benzonitrile n-oxides based on global and local electrophilicity and nu…

2009

The regioselectivity of the 1,3-dipolar cycloaddition (13DC) reactions of benzonitrile N-oxides (BNOs) with electrophilic and nucleophilic alkenes has been analyzed by using global and local nucleophilicity and electrophilicity reactivity indices defined within the conceptual DFT. The BNOs react with electron-deficient and electron-rich ethylenes, but the regioselectivities of these polar reactions are different. Whereas the reactions with electron-rich ethylenes are completely regioselective, yielding 5-isoxazolines, a change in the regioselectivity is observed in the reactions with electron-deficient ethylenes, which yield a mixture of 4- and 5-isoxazolines. Analysis of the energies, geom…

chemistry.chemical_classificationAlkeneOrganic ChemistryRegioselectivityPhotochemistryCycloadditionBenzonitrilechemistry.chemical_compoundchemistryNucleophileComputational chemistryElectrophile13-Dipolar cycloadditionReactivity (chemistry)Physical and Theoretical Chemistry
researchProduct

Enantioselective Synthesis of α-Quaternary Amino Acids by Alkylation of Deprotonated α-Aminonitriles.

2015

A series of α-quaternary arylglycines were prepared in high optical purity (up to 98% ee) by α-alkylation of deprotonated α-aminonitriles derived by the Strecker reaction from (4S,5S)-5-amino-2,2-dimethyl-4-phenyl-1,3-dioxane. The procedure includes only chromatographic purification of the final products and is devoid of chromatography or crystallization operations on intermediates to raise the optical purity.

chemistry.chemical_classificationAlkylationMolecular StructureChemistryOrganic ChemistryStrecker amino acid synthesisEnantioselective synthesisStereoisomerismAlkylationCatalysislaw.inventionAmino acidDioxanesDeprotonationlawNitrilesOrganic chemistryCrystallizationAmino AcidsProtonsEnantiomeric excessThe Journal of organic chemistry
researchProduct

ChemInform Abstract: Synthesis of (E)- and (Z)-29-Methylidyne-2,3-oxidosqualene Derivatives as Inhibitors of Liver and Yeast Oxidosqualene Cyclase.

2010

The synthesis of (E)- and (Z)-29-methylidyne-2,3-oxidosqualene derivatives is described starting from the C22 and C17 squalene aldehyde monobromohydrins. The conversion was achieved by means of a Wittig reaction, followed by desilylation of the terminal acetylene. For trisubstituted 1,3-enynes, preliminary alkylation with a suitable allyl bromide was performed. A new procedure for the synthesis of squalene aldehyde C27, C22 and C17 monobromohydrins is also described. Some of the new compounds behaved as inhibitors of pig liver and yeast oxidosqualene cyclase and were time-dependent inhibitors of the animal enzyme.

chemistry.chemical_classificationAllyl bromideStereochemistryGeneral MedicineAlkylationAldehydeYeast23-Oxidosqualenechemistry.chemical_compoundSqualeneEnzymechemistryWittig reactionlipids (amino acids peptides and proteins)ChemInform
researchProduct

Synthesis of (E)- and (Z)-29-methylidyne-2,3-oxidosqualene derivatives as inhibitors of liver and yeast oxidosqualene cyclase

2002

The synthesis of (E)- and (Z)-29-methylidyne-2,3-oxidosqualene derivatives is described starting from the C22 and C17 squalene aldehyde monobromohydrins. The conversion was achieved by means of a Wittig reaction, followed by desilylation of the terminal acetylene. For trisubstituted 1,3-enynes, preliminary alkylation with a suitable allyl bromide was performed. A new procedure for the synthesis of squalene aldehyde C27, C22 and C17 monobromohydrins is also described. Some of the new compounds behaved as inhibitors of pig liver and yeast oxidosqualene cyclase and were time-dependent inhibitors of the animal enzyme.

chemistry.chemical_classificationAllyl bromideoxidosqualene derivatives; oxidosqualene cyclase; squaleneStereochemistryAlkylationsqualeneAldehydeYeast23-Oxidosqualenechemistry.chemical_compoundSqualeneEnzymechemistryWittig reactionoxidosqualene cyclaselipids (amino acids peptides and proteins)oxidosqualene derivatives
researchProduct

Epoxidation of Olefins with a Silica-Supported Peracid

2012

Anhydrous [2-percarboxyethyl] functionalized silica (2a) is an advantageous oxidant for performing the epoxidation of olefins 1. Epoxides 3 do not undergo the ring-opening reactions catalyzed by the acidic silica surface, except for particularly activated cases such as styrene oxide. The hydrophilic and acidic character of the silica surface does not interfere with the directing effects exerted by allylic H-bond acceptor substituents. The alkenes 1 carrying hydroxyl groups react with silica-supported peracid 2a faster than unsubstituted alkenes, thus reversing the trend known for reactions with soluble peracids. These results are attributed to the H-bond interactions of substrate 1 with the…

chemistry.chemical_classificationAllylic rearrangementMolecular StructureChemistryCarboxylic acidOrganic ChemistrySubstrate (chemistry)AlkenesSilicon DioxideAcceptorCatalysisSilanolchemistry.chemical_compoundStyrene oxideAnhydrousEpoxy CompoundsOrganic chemistryThe Journal of Organic Chemistry
researchProduct

Asymmetric Tandem Reactions: New Strategies and Applications

2013

Abstract The application of allylic sulphoxides and, particularly, the chiral amine reagent tert-butanesulphinamide has been extended to three different tandem processes. The condensation of (R)-(+)-allyl p-tolyl sulphoxide, fluorinated nitriles and alkyl propiolates led to a new family of enantiomerically pure fluorine-containing 1,4- dihydropyridines. A diastereoselective nucleophilic addition of fluorinated nucleophiles onto (R)-(tert-butanesulphinyl) imines, followed by an intramolecular aza-Michael reaction gave rise to either fluorinated isoindolines or 3-substituted indanones in a stereoselective manner.

chemistry.chemical_classificationAllylic rearrangementNucleophilic additionChemistryOrganic ChemistryBiochemistryMedicinal chemistryInorganic ChemistryCascade reactionNucleophileReagentIntramolecular forceOrganic chemistryStereoselectivityAlkylPhosphorus, Sulfur, and Silicon and the Related Elements
researchProduct