23 Results Found

Compound 1 [1] (200 mg, 0.41 mmol) was refluxed in dimethylsulfoxide for 30 minutes.[...]

Bridged 1,3-diazine bisazomethines were synthesized via the nucleophilic addition of phenylenediamines to 4,6-dihydroxypyrimidine-5-carbaldehydes in methanol/water. Structures were confirmed by NMR spectroscopy. In silico screening (PASS-online, CLC-...

This review summarises the possible applications and basic methodologies for the synthesis of six-membered polyazo heterocycles, namely, diazines, triazines, and tetrazines. The time period covered by the analysed works ranges from the beginning of t...

The noncovalent chalcogen interaction between SO₂/SO₃ and diazines was studied through a dispersion-corrected DFT Kohn–Sham molecular orbital together with quantitative energy decomposition analyses. For this, supramolecular circular chains of...

Perfluoroaromatics, such as perfluoropyridine and perfluorobenzene, are privileged synthetic scaffolds in organofluorine methodology, undergoing a series of regioselective substitution reactions with a variety of nucleophiles. This unique chemical be...

The terpeno-heterocyclic molecular hybrids are a new and promising class of modern organic and medicinal chemistry, because their molecules exhibit high and selective biological activity, natural origins, and good biocompatibility, and, usually, they...

Cancer is one of the most serious and merciless health problems of humankind, and the number of new cases is expected to increase in the next decades. Despite extensive cancer research in order to find more effective drugs and treatments, cancer chem...

The ability of density functional theory (DFT) using the functional B3LYP with the cc-pVTZ basis set to accurately predict the electrochemical properties of 20 3-aryl-quinoxaline-2-carbonitrile 1,4-di-N-oxide derivatives in dimethylformamide (DMF) wa...

A series of 6-aryl-3-(3-hydroxypropyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]-thia-diazines were synthesized by the reaction of 4-amino-3-(3-hydroxypropyl)-5-mercapto-1,2,4-triazole (1) with substituted ω-haloacetophenones. Their structures were confirmed b...

N-Protected 3-iodoindoles were reacted with (di)azine halides in a sequentially Pd-catalyzed one-pot fashion, i.e., by Masuda borylation–Suzuki coupling (MBSC) sequence. This methodology was successfully applied to the concise syntheses of mari...

This review highlights the recent advances in the synthesis of 1,4-diazatriphenylenes and their various structural analogs. It focuses on several methodologies, including condensation reactions and intramolecular cyclizations of 2,3-di(het)aryl-subst...

The ability for DFT: B3LYP calculations using the 6-31g and lanl2dz basis sets to predict the electrochemical properties of twenty (20) 3-aryl-quinoxaline-2-carbonitrile 1,4-di-N-oxide derivatives with varying degrees of cytotoxic activity in dimethy...

The review summarizes the literature data on the C−H functionalization of six-membered polyaza heterocycles, specifically diazine and triazine skeletons, which are important in medicine and pharmacology, as examples. The analysis covers the wor...

The ability for density functional theory with the B3LYP functional with the lanl2dz basis set to predict the 1st (Wave 1) and 2nd (Wave 2) reductions of the diazine ring in a series of thirty-seven (37) 1,4-di-N-oxide quinoxaline-2-carboxamide deriv...

Syntheses, crystal structures and characterization are reported for four new complexes [Cu₄Br₂(L)₄]Br₂ (1), [Ni₄(NO₃)₂(L)₄(H₂O)](NO₃)₂ (2), [Co₂(L)₃](ClO₄)₃ (3) and [Co(L)₂](ClO₄) (4), where L⁻ is the monoanion of the ditopic ligand N′-(1...

Over the past two decades, polyoxometalates (POM) have received considerable attention as solid catalysts, due to their unique physicochemical characteristics, since, first, they have very strong Bronsted acidity, approaching the region of a superaci...

The electrochemical properties of twenty 3-aryl-quinoxaline-2-carbonitrile 1,4-di-N-oxide derivatives with varying degrees of cytotoxic activity were investigated in dimethylformamide (DMF) using cyclic voltammetry and first derivative cyclic voltamm...

The intensive use of toxic and remanent pesticides in agriculture has prompted research into novel performant, yet cost-effective and fast analytical tools to control the pesticide residue levels in the environment and food. In this context, biosenso...

We report a two-layer computational workflow for designed heterocyclic polymer dimers as candidates for organic solar cell (OSC) materials. The workflow integrates geometry-optimized B3LYP/6-31G(d) quantum-chemical descriptors (HOMO, LUMO, gap, dipol...

Aromatic heterocycles can be found in many molecules endowed with specific properties, in particular for applications in the fields of medicinal chemistry and materials science. In this group, we notably develop synthetic methodologies to selectively...

Pyrazine (1,4-diazine) and its annulated derivatives are promising platforms for colorimetric and fluorescent chemosensors of biologically and environmentally relevant metal cations, including Hg²⁺, Cu²⁺, Zn²⁺, Pb²⁺, Fe³⁺, Al³⁺, Co²⁺, Ni²⁺, Ag⁺ and C...

Elemental uptake and export of the cell are tightly regulated thereby maintaining the ionomic homeostasis. This equilibrium can be disrupted upon exposure to exogenous reactive oxygen species (ROS), leading to reduction or elevation of the intracellu...

Unsymmetrical dimethylhydrazine (UDMH) was previously used as a rocket propellant in launch vehicles. During the operation and accidents of launch vehicles, hundreds of tons of UDMH were released. While these launch vehicles are gradually being phase...