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Conformational analysis of mixed oxathia crown ethers and their complexational ability towards Ag(I) and Pd(II) – An experimental solution NMR and theoretical molecular modelling study

Both the conformation and flexibility of four mixed oxathia crown ethers and their Ag(I) and Pd(II) complexes were studied by 1H NMR (delta5, J, NOE, T1), 13C NMR, dynamic 1 NMR spectroscopy and molecular modelling. The stoichiometry and stability constants of the complexes were determined from corresponding Job’s plots in the case of Ag(I) complexes as the interchange between free and complexed states was fast on the NMR timescale; interchange for the Pd(II) complexes was sufficiently slow such that distinct sub-spectra were observable for the free and complexed states. In all cases where complexation was observed, 1:1 complexes were formed. Global minima structures determined from the modelling studies were analysed with respect to the barriers to ring interconversion, the flexibility of the species in solution and the preferred complexation of Ag(I) and Pd(II) to the sulfur atoms of the crown ethers.

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Quinoxaline | C8H6N1354 | ChemSpider

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A facile synthesis of chromonyl & quinolinyl 1,2,4-s-triazolo [4,3-a] quinoxalines by dehydrogenative cyclization using DDQ

A series of chromonyl and quinolinyl 1.2.4-s-triazolo(4,3-a) quinoxalines (6 and 7) have been prepared by dehydrogenative cyclization of schiff’s bases (3 and 5) derived from 2-chloro-3-hydrazinoquinoxlines (1) and 3-formylchromone (2) and 2-chloro-3-formylquinolines (4) using DDQ.

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59564-59-9, Name is 3,4-Dihydroquinoxalin-2(1H)-one, belongs to quinoxaline compound, is a common compound. Safety of 3,4-Dihydroquinoxalin-2(1H)-oneIn an article, once mentioned the new application about 59564-59-9.

Heterocyclic derivatives

The invention concerns a heterocyclic derivative of the formula I wherein Q is an optionally substituted 6-membered monocyclic or 10-membered bicyclic heterocyclic moiety containing one or two nitrogen atoms;, X¹ is oxy, thio, sulphinyl, sulphonyl or imino;, Ar is phenylene which may optionally bear one or two substituents or, Ar is an optionally substituted 6-membered heterocyclene moiety containing up to three nitrogen atoms;, R¹ is (1-6C)alkyl, (3-6C)alkenyl or (3-6C)alkynyl; and, R² and R³ together form a group of the formula -A²-X²-A³- which, together with the carbon atom to which A² and A³ are attached, defines a ring having 4 to 7 ring atoms, wherein A² and A³, which may be the same or different, each is (1-4C)alkylene and X² is oxy, thio, sulphinyl, sulphonyl or imino;, or a pharmaceutically-acceptable salt thereof. The compounds of the invention are inhibitors of the enzyme 5-lipoxygenase.

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Quinoxaline – Wikipedia,
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COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF

With a compound represented by formula 1, electrode number 1, number 2 and number 1 and number 2 electrode including a solvent for organic electroluminescence device including electronic device element and which is disclosure, a compound represented by formula 1 organic layer, organic of the electrical component to a predetermined driving voltage, luminous efficiency can be on the organic layer. (by machine translation)

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Quinoxaline – Wikipedia,
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Visible Light-Promoted Aliphatic C-H Arylation Using Selectfluor as a Hydrogen Atom Transfer Reagent

A mild, practical method for direct arylation of unactivated C(sp3)-H bonds with heteroarenes has been achieved via photochemistry. Selectfluor is used as a hydrogen atom transfer reagent under visible light irradiation. A diverse range of chemical feedstocks, such as alkanes, ketones, esters, and ethers, and complex molecules readily undergo intermolecular C(sp3)-C(sp2) bond formation. Moreover, a broad array of heteroarenes, including pharmaceutically useful scaffolds, can be alkylated effectively by the protocol presented here.

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Synthetic Route of 1448-87-9, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.1448-87-9, Name is 2-Chloroquinoxaline, molecular formula is C8H5ClN2. In a Patent,once mentioned of 1448-87-9

Quinoxaline-containing pentadiene ketone oxime ether compound as well as preparation method and application thereof (by machine translation)

The invention relates to a quinoxaline-containing pentadiene ketone oxime ether compound as well as a preparation method and application. The compound is shown as shown A in formula A. Wherein X is selected from O, R1 Phenyl, substituted phenyl, substituted heterocyclyl, R2 Phenyl, substituted phenyl, substituted heterocyclyl, substituted benzyl, R3 A hydrogen atom or a chlorine atom or the like. The compound has a good prevention and treatment effect on tobacco mosaic viruses. (by machine translation)

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Synthesis, structure, and binding properties of lipophilic cavitands based on a calix[4]pyrrole-resorcinarene hybrid scaffold

We report the synthesis, structural characterization, and binding properties of a series of unprecedented cavitands based on a meso-dodecyl-calix[4]pyrrole-resorcin[4]arene hybrid scaffold. The reported structural and conformational features of the prepared cavitands are derived from results obtained in solution, solid state, and molecular modeling studies. In the solid state, these cavitands are exclusively observed in the kite C 4 structure and as a racemic mixture of two cyclochiral conformers, which are interconverting fast on the 1H NMR time scale, according to solution studies. In agreement, molecular modeling studies assign an energy preference for the kite conformer of the cavitands. The polar interior of the synthesized containers allows for the inclusion of a series of pyridine N-oxide derivatives. This results in the formation of 1:1 complexes that are kinetically and thermodynamically highly stable. The putative switching process between the vase and kite forms of these cavitands is investigated in solution by means of variable temperature 1H NMR experiments. N-Oxide guests that are size and shape complementary to the volume of the cavity of the vase form are also employed to facilitate its emergence. All of the results obtained indicate the existence of a remarkable preference toward the kite conformation both in free and bound calix[4]pyrrole-based cavitands.

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Design and synthesis of novel imidazo[1,2-a]quinoxalines as PDE4 inhibitors

New imidazo[1,2-a]quinoxaline derivatives have been synthesised by condensation of an appropriate alpha-aminoalcohol with a quinoxaline followed by intramolecular cyclisation and nucleophilic substitutions. Their phosphodiesterase inhibitory activities have been assessed on a preparation of the PDE4 isoform purified from a human alveolar epithelial cell line (A549). These studies showed potent inhibitory properties that emphasize the importance of a methyl amino group at position 4 and a weakly hindered group at position 1.

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Quinoxaline – Wikipedia,
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Retrosynthetic Approach to the Synthesis of Phenothiazines

The first compound containing a phenothiazine ring, 3,7-diaminophenazathionium chloride, was obtained in 1876 by Lauth (1876CB1035). Bernthsen synthesized the parent phenothiazine in 1883, by heating diphenylamine with sulfur (1883CB2896). The chemistry of phenothiazine has evolved in several directions since his discovery in the nineteenth century. Initially, the interest in this heterocycle was due to its quinonoid derivatives, widespread as intermediates in sulfur dye chemistry (1876CB1035, 12CB2012). Then followed the discovery of the antihelmintic action of unsubstituted (50MI(1)124) and of some C-substituted (56AJC397) phenothiazines, which made these compounds important adjuvants in the meat industry that increased the availability of animal products. The brightest period started in the 1950s with the introduction of phenothiazine derivatives in medicine. The antihistaminic (46MI363, 48MI197) and neuroleptic (52MI206) action of some N,C-substituted phenothiazines has made them essential chemotherapeutic tools even nowadays. Lately, the research in this class has been focused on the synthesis and investigation of the properties of new phenothiazines in the quest for advanced materials with potential use in modern applied physics. The literature on phenothiazine derivatives was reviewed exhaustively in an earlier monograph edited by R. R. Gupta (88MI1). In the synthesis of phenothiazines, ring closure successfully rivals with other reactions involving functional group insertion, removal or modification, and the scope of this review is to summarize the cyclization reactions known to produce the phenothiazine ring based on a retrosynthetic analysis scheme. Although we tried to ensure the coverage of all known synthetic pathways, the literature references are, however, limited to the most significant examples (the same procedure, e.g. thionation, has been used without relevant modifications by a spate of authors). The purpose of the retrosynthetic analysis consists in identifying and disconnecting the strategic chemical bonds in the target molecule, bonds that can be easily re-connected synthetically. Such successive disconnections yield syntons and starting molecules with simple structures (eventually commercial compounds). According to the accepted rules, in such retrosynthetic analyses, we indicate the bond that will be disconnected in the target molecule and used an arrow ? to show the resultant precursors. Under this arrow, we mention the reactions that allow the reconnection of the respective bond. The disconnection possibilities for the phenothiazine molecule are depicted in Scheme 1.

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Triarylimidazole derivatives as cytokine inhibitors

Compounds of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1, R2 and R3 are various substituent groups; and one of X1 and X2 is N or CR?, and the other is NR? or CHR? wherein R? is hydrogen, OH, C1-6alkyl, or C3-7cycloalkyl; or when one of X1 and X2 is N or CR? then the other may be S or O; and their use as pharmaceuticals.

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Quinoxaline – Wikipedia,
Quinoxaline | C8H6N792 | ChemSpider