Search results for "Heterocycle"

showing 10 items of 134 documents

Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthene-9-carboxylate

2020

The title molecule, C19H24O5, is built by annulation of a half-chair cyclohexenone and a twist-cyclohexenone to a flat 4-H-pyrane boat. In the crystal, molecules are connected via van der Waals interactions and C—H...O hydrogen bonds.

XantheneAnnulationcrystal structureheterocyclesbiologyChemistryHydrogen bondGeneral MedicineCrystal structurebiology.organism_classificationMedicinal chemistryCrystalsymbols.namesakechemistry.chemical_compoundsymbolslcsh:QD901-999Tetralcsh:Crystallographyvan der Waals forcepolycyclic systemIUCrData
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One pot-like regiospecific access to 1-aryl-1H-pyrazol-3(2H)-one derivatives and evaluation of the anticancer activity

2022

A set of variously substituted 1-arylpyrazol-3-one derivatives, including the di-ortho-aryl substituted ones, was synthesized as new potential anticancer compounds. To fulfill this aim, herein a regiospecific synthesis was proposed utilizing a new revisited one pot procedure, starting from commercial anilines and easily accessible 2,5-dimethyl-furan-3-one. In the course of the sequential ordered steps, in some cases, a nitro group displacement by chlorine took place to a minor extent. The in vitro screening against the full panel of ~60 human cancer cell lines (NCI) showed a moderate, but promising selective antiproliferative activity against the UO31 renal tumor cell line, only in compound…

antiproliferative activityNCI screeningPyrazol-3-onesOrganic Chemistryregiospecific cyclizationnitrogen heterocyclesSettore CHIM/08 - Chimica FarmaceuticaArkivoc
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5-Substituted 4,5-Dihydro-1,2,4-triazin-3(2H)-ones from the Unprecedented Reaction between α-N-Protected Amino Acid Hydrazides and NaBH4

2006

α-N-Protected amino acid hydrazides (1) readily reacted with NaBH4 to afford 5-substituted 4,5-dihydro-1,2,4-triazin-3(2H)-one derivatives 2 in good yields. Unfortunately, the reaction caused partial racemization at the α-amino acidic carbon atom of the starting hydrazide. A mechanism, supported by experimental evidence, has been proposed in an attempt to explain this to date unprecedented reaction. The structure of compounds 2 was confirmed by X-ray structural analysis. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

chemistry.chemical_classificationHydrazideCarbon atomAmino acids Cyclization- reduction reactions Heterocycles Hydrazides Sodium borohydrideHeterocycleOrganic ChemistryGeneral MedicineCyclization- reduction reactionsHeterocyclesHydrazidesHydrazideMedicinal chemistryAmino acidAmino acidchemistry.chemical_compoundSodium borohydridechemistryCyclization–reduction reactionsAmino acidsOrganic chemistryPhysical and Theoretical ChemistryRacemizationSodium borohydrideEuropean Journal of Organic Chemistry
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Study on the synthesis of novel 5-substituted 2-[2-(pyridyl)ethenyl]-1,3,4-oxadiazoles and their acid–base interactions

2014

Abstract A series of novel 5-substituted 2-[2-(pyridyl)ethenyl]-1,3,4-oxadiazoles were efficiently synthesized by cyclocondensation of the appropriate 3-(pyridyl)acrylohydrazides with triethyl orthoesters in the presence of glacial acetic acid. The products were identified by means of spectroscopic methods and their pKA ionization constants were determined. The influence of substituents on the basicity of the pyridine system has been discussed. Graphical Abstract

chemistry.chemical_classificationOriginal PaperChemistry(all)Base (chemistry)Basicity3-(Pyridyl)acrylohydrazidesHeterocyclesGeneral ChemistryCyclizationsMedicinal chemistryCombinatorial chemistrypKA Ionization constantschemistry.chemical_compoundAcetic acidchemistryPyridine134-OxadiazolesMonatshefte für Chemie - Chemical Monthly
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On the Dichotomic Behavior of the Z-2,4-Dinitrophenylhydrazone of 5-Amino-3-benzoyl-1,2,4-oxadiazole with Acids in Toluene and in Dioxane/Water:  Rea…

2004

The mononuclear rearrangement (MRH) of the Z-2,4-dinitrophenylhydrazone (4a) and of the Z-phenylhydrazone (4b) of 5-amino-3-benzoyl-1,2,4-oxadiazole into the relevant triazoles 5a and 5b in toluene has been quantitatively investigated in the presence of trichloroacetic acid (TCA) and of piperidine at 313.1 K. While the behavior in the presence of piperidine recalls the one previously evidenced for some Z-hydrazones of 3-benzoyl-5-phenyl-1,2,4-oxadiazole, the study of the reactivity in the presence of TCA has most interestingly evidenced a general-acid-catalyzed rearrangement for “both” 4a and 4b. Thus, 4a offers the first example of a solvent-dependent dichotomic behavior in MRH processes o…

chemistry.chemical_classificationReaction mechanismOrganic Chemistryacid catalysiOxadiazoleHydrazoneMedicinal chemistryToluenechemistry.chemical_compoundHydrolysisAcid catalysischemistryOrganic chemistrymononuclear rearrangement of heterocycleReactivity (chemistry)Piperidinebase catalysisThe Journal of Organic Chemistry
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Effective Removal and Mineralization of 8-Hydroxyquinoline-5-sulfonic Acid through a Pressurized Electro-Fenton-like Process with Ni−Cu−Al Layered Do…

2020

Ni−Cu−Al layered double hydroxide (Ni−Cu−Al LDH) was proposed as an electro‐Fenton‐like catalyst for 8‐hydroxyquinoline‐5‐sulfonic acid (8‐HQS) removal in water. The properties of the prepared catalysts were characterized by using X‐ray, SEM and EDAX analyses. The effect of numerous operative parameters on the removal of 8‐HQS and total organic carbon (TOC) was studied. Very high level removal of both 8‐HQS and TOC (87 and 79 %, respectively) were obtained by using a pressurized electro‐Fenton‐like process (PrEFL‐LDH) at P=10 bars, using a Ti/IrO2‐Ta2O5 anode for 6 h. The process presented good performances in a large range of pH (3–10) and gave better removals of 8‐HQS and TOC with respect…

chemistry.chemical_classificationchemistry.chemical_compoundChemistry8-hydroxyquinoline-5-sulfonic acid heterogeneous catalysis Ni−Cu−Al layered double hydroxide nitrogen heterocycles pressurized-electro-FentonElectrochemistryHydroxide8-HydroxyquinolineMineralization (soil science)Sulfonic acidSettore ING-IND/27 - Chimica Industriale E TecnologicaHeterogeneous catalysisCatalysisNuclear chemistry
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Crystal structure of (E)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol

2015

The molecule of the title Schiff base compound, C14H14N2O2, displays anEconformation with respect the imine C=N double bond. The molecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intramolecular hydrogen bond involving the phenolic H and imine N atoms.

chemistry.chemical_classificationcrystal structureCrystallographySchiff baseDouble bondStereochemistryHydrogen bondintramolecular hydrogen bondImineintra­molecular hydrogen bondN-heterocycleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsMedicinal chemistryData ReportsSchiff basechemistry.chemical_compoundchemistryQD901-999PyridineGeneral Materials ScienceBenzeneActa Crystallographica Section E Crystallographic Communications
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Mo-Based Oxidizers as Powerful Tools for the Synthesis of Thia- and Selenaheterocycles.

2019

A highly efficient synthetic protocol for the synthesis of thia- and selenaheterocycles has been developed. By employing a MoCl5 -mediated intramolecular dehydrogenative coupling reaction, a broad variety of structural motifs was isolated in yields up to 94 %. The electrophilic key transformation is tolerated by several labile moieties like halides and tertiary alkyl groups. Due to the use of disulfide or diselenide precursors, a high atom efficiency was achieved.

chemistry.chemical_classificationcyclization010405 organic chemistryChemistryoxidationOrganic ChemistryHalideGeneral Chemistry010402 general chemistry01 natural sciencesCombinatorial chemistryCatalysisCoupling reactionC−H activationsulfur heterocycles0104 chemical sciencesDiselenidemolybdenumAtom economyIntramolecular forceElectrophileStructural motifAlkylChemistry (Weinheim an der Bergstrasse, Germany)
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Synthesis of 4-amino-5-fluoropyrimidines and 5-amino-4-fluoropyrazoles from a β-fluoroenolate salt

2020

A synthesis of fluorinated pyrimidines under mild conditions from amidine hydrochlorides and the recently described potassium 2-cyano-2-fluoroethenolate was developed. A broad substrate scope was tested and mostly excellent yields were obtained. The synthesis of fluorinated aminopyrazoles from the same fluorinated precursor could be demonstrated but proceeded with lower efficiency.

chemistry.chemical_classificationcyclizationfluorinated heterocyclesChemistrypyrimidinesPotassiumOrganic Chemistrychemistry.chemical_elementSalt (chemistry)Substrate (chemistry)Combinatorial chemistryFull Research PaperpyrazolesAmidinelcsh:QD241-441Chemistrychemistry.chemical_compoundlcsh:Organic chemistryfluorineFluorinelcsh:Qlcsh:ScienceBeilstein Journal of Organic Chemistry
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Base-Dependent Stereodivergent Intramolecular Aza-Michael Reaction: Asymmetric Synthesis of 1,3-Disubstituted Isoindolines

2013

The nucleophilic addition (A(N)) / intramolecular aza-Michael reaction (IMAMR) process on Ellman's tert-butylsulfinyl imines, bearing a Michael acceptor in the ortho position, is studied. This reaction affords 1,3-disubstituted isoindolines with a wide range of substituents in good yields and diastereoselectivities. Interestingly, careful choice of the base for the aza-Michael step allows either the cis or the trans diastereoisomers to be exclusively obtained. This stereodivergent cyclization has enabled the synthesis of C2-symmetric bisacetate-substituted isoindolines. In addition, bisacetate isoindolines bearing two well-differentiated ester moieties are also noteworthy because they may a…

chemistry.chemical_classificationheterocyclesOrtho positioncyclizationNucleophilic additionBase (chemistry)Stereochemistryasymmetric synthesisOrganic ChemistryEnantioselective synthesisDiastereomerGeneral ChemistryCatalysischiral auxiliarieschemistryNitrogen atomIntramolecular forceMichael reactionaza-Michael additionChemistry - A European Journal
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