Search results for "Benzonitrile"
showing 10 items of 65 documents
Differently substituted benzonitriles for non-doped OLEDs
2020
DG acknowledges to the ERDF PostDoc grant No. 1.1.1.2/VIAA/1/16/177 . This research was funded by the European Regional Development Fund according to the supported activity ‘Research Projects Implemented by World-class Researcher Groups’ under Measure No. 01.2.2-LMT-K-718 .
Effect of Peripheral Substitution and Extended Conjugation on the Redox Potentials of Nickel Porphycenes
1996
Eight different nickel porphycenes bearing substituents on the pyrrole β and/or ethylenic carbon positions of the macrocycle were investigated as to their redox properties in benzonitrile containin...
Electrochemistry and germanium porphyrins in nonaqueous media. Reactions of water and hydroxide ligands associated with (P)Ge(ClO4)2 and (P)Ge(OH)2, …
1988
Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuc…
2014
A tridentate ligand p-chloro-2-{(2-(dimethylamino)ethylimino)methyl}phenol (HL) was used to generate an octahedral nickel complex [Ni(L)Cl(H2O)2] 1 which was further converted into a square-planar nickel complex [Ni(L)(N3)] 2. The [2 + 3] cycloaddition reaction between metal coordinated azide 2 and different organonitriles under microwave irradiation afforded tri- and pentanuclear nickel(II) complexes 4a-4c. Reaction with benzonitrile and 3-cyano pyridine furnished the trinuclear species [Ni3L2(5-phenyltetrazolato)4(DMF)2] 4a and [Ni3L2{5-(3-pyridyl)-tetrazolato}4(DMF)2]·2H2O 4b, respectively. The nickel centers were found to be linearly disposed to each other and the complex is formed by a…
Electrochemistry and Spectroelectrochemistry of Bismanganese Porphyrin-Corrole Dyads
2011
A series of homobimetallic manganese cofacial porphyrin-corrole dyads were synthesized and investigated as to their electrochemistry, spectroelectrochemistry, and ligand binding properties in nonaqueous media. Four dyads were investigated, each of which contained a Mn(III) corrole linked in a face-to-face arrangement with a Mn(III) porphyrin. The main difference between compounds in the series is the type of spacer, 9,9-dimethylxanthene, anthracene, dibenzofuran, or diphenylether, which determines the distance and interaction between the metallomacrocycles. Each redox process of the porphyrin-corrole dyads was assigned on the basis of spectroscopic and electrochemical data and by comparison…
Dehydrogenation versus Oxygenation in Two-Electron and Four-Electron Reduction of Dioxygen by 9-Alkyl-10-methyl-9,10-dihydroacridines Catalyzed by Mo…
2004
Dehydrogenation of 10-methyl-9,10-dihydroacridine (AcrH(2)) by dioxygen (O(2)) proceeds efficiently, accompanied by the two-electron and four-electron reduction of O(2) to produce H(2)O(2) and H(2)O, which are effectively catalyzed by monomeric cobalt porphyrins and cofacial dicobalt porphyrins in the presence of perchloric acid (HClO(4)) in acetonitrile (MeCN) and benzonitrile (PhCN), respectively. The cobalt porphyrin catalyzed two-electron reduction of O(2) also occurs efficiently by 9-alkyl-10-methyl-9,10-dihydroacridines (AcrHR; R = Me, Et, and CH(2)COOEt) to yield 9-alkyl-10-methylacridinium ion (AcrR+) and H(2)O(2). In the case of R = Bu(t) and CMe(2)COOMe, however, the catalytic two…
Design, synthesis, and biological evaluation of nonsteroidal cycloalkane[d]isoxazole-containing androgen receptor modulators.
2012
We report here the design, preparation, and systematic evaluation of a novel cycloalkane[d]isoxazole pharmacophoric fragment-containing androgen receptor (AR) modulators. Cycloalkane[d]isoxazoles form new core structures that interact with the hydrophobic region of the AR ligand-binding domain. To systematize and rationalize the structure-activity relationship of the new fragment, we used molecular modeling to design a molecular library containing over 40 cycloalkane[d]isoxazole derivatives. The most potent compound, 4-(3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-2-(trifluoromethyl)benzonitrile (6a), exhibits antiandrogenic activity significantly greater than that of the most widely used …
Divulging the various chemical reactivity of trifluoromethyl-4-vinyl-benzene as well as methyl-4-vinyl-benzene in [3+2] cycloaddition reactions.
2020
Abstract In the present paper, an investigation about the [3 + 2]cycloaddition (32 C A) reactions of benzonitrile oxide with 1-trifluoromethyl-4-vinyl-benzene, and with 1-methyl-4-vinyl-benzene, using the Molecular Electron Density Theory (MEDT) through DFT/B3LYP/6–311++G (d,p), is performed. A deep mechanistic study beside an accurate electronic description of different stationary points along the IRC paths of the two 32 C A reactions have performed by examining the two competitive regioisomericortho/metareaction pathways, and providing the mechanism associated with them. The presence of the CF3 group reduces the activation energy, which makes it possible to increase the experimental yield…
Synthesis, characterization and X-ray structure of heterocyclic systems prepared via 1,3-dipolar cycloaddition of nitrile oxides with benzimidazolone
2018
Abstract We report here a one-step synthesis of the new isoxazolyl-benzimidazolones and isoxazolinyl-benzimidazolones by 1,3-dipolar cycloaddition of the p-substituted benzonitrile oxides and mesitonitrile oxide with 1-cyclohex-1-en-1-yl-3-propargyl-benzimidazolone or 1-cyclohex-1-en-1-yl-3-allyl-benzimidazolone. In all cases these cycloadditions are completely regio- and chemoselective. The structures of new cycloadducts obtained are elucidated by their analytical and spectral data. The relative stereochemistry of the cycloadduct 8 was confirmed by single crystal X-ray analysis.
4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzonitrile
2012
In the crystal structure of the title compound, C21H14FN5, the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluorophenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N—H...N hydrogen bonds, which result in a two-dimensional network parallel to theac-plane.