Search results for "Carboximidate"

showing 7 items of 7 documents

Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles

2021

Unlike the closely related and widely investigated amidino-substituted benzimidazoles and benzothiazoles with a range of demonstrated biological activities, the matching benzoxazole analogues still remain a largely understudied and not systematically evaluated class of compounds. To address this challenge, we utilized the Pinner reaction to convert isomeric cyano-substituted 2- aminophenols into their amidine derivatives, which were isolated as hydrochlorides and/or zwitterions, and whose structure was confirmed by single crystal X-ray diffraction. The key step during the Pinner synthesis of the crucial carboximidate intermediates was characterized through mechanistic DFT calculations, with…

Models MolecularAmidinesAntineoplastic AgentsAminophenolsCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryAmidinechemistry.chemical_compoundCell Line TumorHumansPinner reactionPhysical and Theoretical ChemistryDensity Functional TheoryCell ProliferationBenzoxazolesMolecular Structurebenzoxazoles ; amidino-functionalization ; Pinner reaction ; organic synthesis ; X-ray analysis ; antiproliferative activity ; DFT calculations010405 organic chemistryArylOrganic ChemistryBiological activityBenzoxazoleCondensation reactionCombinatorial chemistry0104 chemical sciences3. Good healthCarboximidatechemistrySurface modificationDrug Screening Assays AntitumorOrganic & Biomolecular Chemistry
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CCDC 1921769: Experimental Crystal Structure Determination

2019

Related Article: Rezeda Gayfullina, Sirpa Jääskeläinen, Igor O. Koshevoy, Pipsa Hirva|2019|Inorganics|7|87|doi:10.3390/inorganics7070087

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-bromo)-dibromo-bis(methyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-di-copper(ii)Experimental 3D Coordinates
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CCDC 1921768: Experimental Crystal Structure Determination

2019

Related Article: Rezeda Gayfullina, Sirpa Jääskeläinen, Igor O. Koshevoy, Pipsa Hirva|2019|Inorganics|7|87|doi:10.3390/inorganics7070087

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-chloro)-dichloro-bis(methyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-di-copper(ii)Experimental 3D Coordinates
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CCDC 1029374: Experimental Crystal Structure Determination

2014

Related Article: Zong Guan, Kai Hillrichs, Cemre Ünlü, Kari Rissanen, Martin Nieger, Andreas Schmidt|2015|Tetrahedron|71|276|doi:10.1016/j.tet.2014.11.054

Space GroupCrystallographyCrystal Systemphenyl 2-((4-bromophenyl)amino)-N-methylbenzenecarboximidateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1921770: Experimental Crystal Structure Determination

2019

Related Article: Rezeda Gayfullina, Sirpa Jääskeläinen, Igor O. Koshevoy, Pipsa Hirva|2019|Inorganics|7|87|doi:10.3390/inorganics7070087

Space GroupCrystallographybis(mu-bromo)-dibromo-bis(ethyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-di-copper(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis

2019

Reactions of 4,5-dicyano-1-methylimidazole with CuX2 (X = Cl, Br) in alcohol solvents (ethanol and methanol) resulted in the formation of Cu(II) carboximidate complexes [CuCl2(5- cyano-4-C(OEt)N-1-methylimidazole)(EtOH)] (1), [Cu2(&micro

Steric effectsDenticitychemistry.chemical_elementInfrared spectroscopy010402 general chemistry01 natural sciencesMedicinal chemistryDFTimidazoleInorganic Chemistrychemistry.chemical_compoundQTAIM (Quantum Theory of Atoms in Molecules)lcsh:Inorganic chemistryImidazolecyanostructural analysiscopper complex010405 organic chemistryLigandalcoholysisepäorgaaninen kemiaCopperlcsh:QD146-1970104 chemical sciencesCarboximidatechemistryAlkoxy groupInorganics
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CCDC 1921767: Experimental Crystal Structure Determination

2019

Related Article: Rezeda Gayfullina, Sirpa Jääskeläinen, Igor O. Koshevoy, Pipsa Hirva|2019|Inorganics|7|87|doi:10.3390/inorganics7070087

bis(chloro)-ethanol-(ethyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-copper(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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