Search results for "4-OXADIAZOLE"

showing 5 items of 65 documents

Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-di­aqua­[2,5-bis­(pyridin-4-yl)-1,3,4-oxa­diazole]di­thio­c…

2019

The NiII atom in the mononuclear title complex has an almost regular octa­hedral N4O2 coordination geometry. In the crystal, the complex mol­ecules are linked in a three-dimensional network through strong O—H⋯N hydrogen bonds.

crystal structurespectroscopyThio-chemistry.chemical_elementcoordination complexCrystal structure010403 inorganic & nuclear chemistry01 natural sciencesCoordination complexResearch CommunicationsCrystalchemistry.chemical_compound134-oxadiazoleGeneral Materials Sciencethio­cyanatechemistry.chemical_classificationthiocyanateCrystallographyThiocyanate010405 organic chemistryHydrogen bondGeneral ChemistryHirshfeld analysisCondensed Matter Physics0104 chemical sciencesCrystallographyNickel134-oxa­diazolechemistryQD901-999hydrogen bondsDiazoleActa Crystallographica Section E: Crystallographic Communications
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Mononuclear rearrangements of heterocycles in water/β-CD: information on the real site of reaction from structural modifications of substrates and fr…

2007

Abstract The effect of β-cyclodextrin (β-CD) on the reactivity in the base-catalyzed pathway for the rearrangement in water of some ( Z )-hydrazones of 3-benzoyl-1,2,4-oxadiazoles ( 1b – f ) into the relevant triazoles ( 2b – f ) was investigated, finding different behavior as a function of the proton concentration. ESIMS and 1 H NMR data evidence the formation of host – guest complexes. The whole of the experimental and calculated (MM2) data enabled us to draw some intriguing conclusions concerning the influence of the structures of the substrates and the nature of the formed host – guest complexes on the real site of the reaction.

cyclodextrinProtonConcentration dependenceStereochemistryChemistryElectrospray ionizationOrganic ChemistryDrug DiscoveryProton NMR124-oxadiazoleReactivity (chemistry)mononuclear rearrangementBiochemistryTetrahedron
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One-pot synthesis of fluorinated 2-amino-pyrimidine-N-oxides. Competing pathways in the four-atom side-chain rearrangements of 1,2,4-oxadiazoles

2006

Abstract Trifluoromethylated 2-amino-pyrimidine N-oxides have been synthesized by reaction of the 3-amino-5-methyl-1,2,4-oxadiazole with trifluoromethyl-β-diketones in the presence of perchloric acid, followed by hydrolysis. In this ring-to-ring transformation an initial formation of (unisolated) 1,2,4-oxadiazole-pyrimidinium salts, and subsequent ring-opening at the oxadiazole moiety occurs. Isolation of 2-(hydroxyamino)-pyrimidine from the reaction mixture evidenced the presence of a competing pathway where the N(4) nitrogen of the oxadiazole is involved in the formation of a regioisomeric pyrimidinium salt. The effect of the trifluoromethyl group on the product distribution is discussed.…

fluoropyrimidine derivativecrystal structurepyrimidine N-oxidePyrimidinesynthesisStereochemistryOne-pot synthesisOxadiazoleX ray analysis3 diketoneBiochemistryMedicinal chemistryperchloric acidnitrogenchemistry.chemical_compoundside-chain rearrangementDrug DiscoveryStructural isomerSide chainMoietyPerchloric acidring openingfluorinated heterocycle3 diketone fluoropyrimidine derivative ketone derivative nitrogen oxide perchloric acid; article crystal structure hydrolysis priority journal reaction analysis ring opening synthesis X ray analysisTrifluoromethylChemistryOrganic Chemistryarticle124-oxadiazoleketone derivativereaction analysishydrolysispriority journaloxide
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Rearrangements of 1,2,4-Oxadiazole: “One Ring to Rule Them All”

2017

[Figure not available: see fulltext.] 1,2,4-Oxadiazoles are heterocycles characterized by low aromaticity and the presence of a weak O–N bond and are widely studied due to their tendency to rearrange into more stable heterocyclic compounds. This review covers literature from the last fifteen years, highlighting the general features of 1,2,4-oxadiazoles and their applications. Regarding the reactivity, the development of classical reactions (thermal and photochemical rearrangements) is presented in terms of synthetic utility and mechanistic insight. Among the relevant rearrangement reactions, the Boulton–Katritzky Rearrangement (BKR), Migration – Nucleophilic Attack – Cyclization (MN…

heterocyclic rearrangementphotochemistry010405 organic chemistryOrganic Chemistry124-oxadiazoleOxadiazoleBoulton–Katritzky rearrangementAromaticitySettore CHIM/06 - Chimica Organica010402 general chemistryRing (chemistry)01 natural sciences0104 chemical scienceschemistry.chemical_compoundNucleophilechemistryComputational chemistryANRORCReactivity (chemistry)Chemistry of Heterocyclic Compounds
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1,2,4-OSSADIAZOLI: UTILI SCAFFOLD NEL DESIGN DI NUOVI FARMACI

2021

quinazolinone(di)-acylguanidineneuroprotective agentreduction124-Oxadiazoleantidiabetic agentSARS-CoV2 proteaseSettore CHIM/06 - Chimica Organica
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