Russian Journal of General Chemistry最新文献

A series of ethyl 2-[(1H-indol-3-yl)(phenyl)methyl]-3-oxobutanoate derivatives was synthesized via a one-pot multicomponent approach using substituted indoles, ethyl 3-oxobutanoate, and aromatic aldehydes under a conventional heating. The NiO nanoparticles used as nanocatalysts for the Knoevenagel condensation and synthesis of new indole derivatives were discussed. The XRD was used to determine the particle size of the NiO nanoparticle. NiO nanoparticles can be recycled and used again after the reaction course. The ADM analysis and drug-likeness results showed that indole derivatives satisfied the criteria for drug-likeness and Lipinski’s principles. The reactivity indices and potential regions derived from the FMO investigations were effectively used in various molecular systems because they offer valuable information. The oxobutanoate derivative’s potential reactivity directions were determined and the important areas were highlighted.

Chemical vapor deposition (CVD) has become a favorable method for preparation of iron-containing films. However, as a key role in the CVD process, the available liquid iron precursor is scarce. To this aim, this study synthesized two liquid iron complexes using sec-butyl-containing amidines as ligands, and the synthesized complexes’ structures were characterized through ¹H NMR spectroscopy and elemental analysis. Thermogravimetric analysis (TGA) was employed to study the thermal properties (including volatility, thermal stability, and vapor pressure) of the designed complexes, and the results demonstrated that both complexes have excellent volatility, sufficient thermal stability and vapor pressure. The reactivity of the complexes was observed through solution reactions between them and conventional co-reagents, and both complexes exhibited high reactivity. Moreover, the applicability of the synthesized complexes as CVD precursors were evaluated through film deposition experiment, and a continuous, uniform, high purity, and smooth α-Fe₂O₃ film was obtained. These results demonstrated that the synthesized complexes are promising precursors for the CVD of iron-containing films.

Among the seven-membered ketals of pyridoxine containing hydroxymethyl groups in various positions of the pyridine ring, an unusual ability of selenium dioxide to catalyze the reaction of nucleophilic substitution of the hydroxyl group by N,O-nucleophiles was found. Quantum chemical calculations have shown the possibility of the formation of selenium dioxide adducts with substrates and the formation of reactive intermediates—ortho- and para-pyridinone methides. The antioxidant and antimycotic activity of the obtained compounds was determined.

New acrylamide compounds based on 4-aminoantipyrine were synthesized. 4-Acetaminoantipyrine was synthesized and its reactivity with salicylic aldehyde, vanillin, isovanillin and 5-methoxysalicylaldehyde with the formation of new N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(aryl)acrylamides was investigated. In addition, synthesized acrylamides were screened for ADME studies to elucidate their properties. The antimicrobial and antioxidant activitiy of the newly synthesized compounds were exceptionally high, surpassing the performance of the reference standard drug. Molecular docking simulations further confirmed these results, highlighting the heightened activity attributed to the substitute groups on the aromatic rings with different proteins and showed different interactions, confirming their biological evaluation. The optimization of target compounds using the DFT/B3LYP/6-311G(d) basis set demonstrated their stability and provided insights into their physical descriptors—Electrostatic Potential (ESP) and Molecular Electrostatic Potential (MEP). The analysis revealed both electrophilic and nucleophilic characters, showcasing their versatile binding capabilities in various pockets and confirming the biological results.

A novel conductive and conjugated composite, comprising Kevlar and p-polyphenylenediamine (Kevlar/PPPD) nanocomposite, was successfully synthesized. These techniques provided valuable insights into the structural and optical properties of the Kevlar composite, affirming its potential for applications in polymer photodetectors. Subsequently, the Kevlar/PPPD nanocomposite underwent rigorous testing to evaluate its performance as a photodetector. During these experiments, the current density generated by the nanocomposite (J_ph) was measured under two distinct conditions: in the absence of light (dark) and in the presence of light. The results revealed a notable increase in current, rising from 0.32 mA in the dark to 0.58 mA under illuminated conditions. Additionally, the study assessed two crucial parameters, namely photoresponsivity (R) and specific detectivity (D). The R values displayed a consistent decrease, transitioning from an initial value of 2.7 mA/W to a lower value of 1.65 mA/W. Similarly, the specific detectivity (D) values declined from 6.2×10⁷ to 3.8×10⁷ Jones, corresponding to wavelengths of 340 and 540 nm, respectively. What sets this research apart is the Kevlar/PPPD composite’s ability to respond effectively to a range of wavelengths, encompassing ultraviolet (UV), visible (Vis), and near-infrared (IR) regions. This broad-spectrum responsiveness positions the Kevlar composite as a highly promising candidate for various photodetection applications. Consequently, the Kevlar/PPPD composite demonstrates its versatility and potential suitability for deployment as a photodetector in a diverse array of applications.

Effective methods were proposed for the synthesis of 1-amino-8,8-dimethyl-5-piperidin-1-yl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-carbonitrile and pyrano[4′′,3′′:4′,5′]pyrido[3′,2′:4,5]thieno[3,2-d]pyrimidine-8,10-dithione. A new intramolecular cyclization was discovered: the transformation of the thiazine ring into a pyrimidine ring. A plausible reaction mechanism was proposed, involving the formation of the corresponding thiazine ring followed by recyclization to the target compound. An effective method was developed for preparing bis-thioalkyl derivatives of thieno[3,2-d]pyrimidine with high yields.

New properties of leucyl-leucine dipeptide crystals were discovered. They can remember vapors of methanol and n-propanol and distinguish these compounds from ethanol after their inclusion and release. The memory of the dipeptide appears to have specific thermal effects on the curves of differential scanning calorimetry in the temperature range after the evolution of methanol and n-propanol from the clathrates. The number of thermal effects depends on the guest in the clathrate. The memory of leucyl-leucine to methanol vapors depends on the way of clathrate is prepared and can be erased. It was found that the onset temperature of dipeptide cyclization in the solid state can be changed by binding and removal of vapors of water and organic compounds. The explanation for this effect is discussed. The special behavior of leucyl-leucine was explained and the possibility to control the polymorphic state of the dipeptide using organic vapors was shown.

The reaction of alkyl carboxylic acids hydrazides with dialkyl chloroethynylphosphonates was studied. A series of novel 2-phosphonylated 1,3,4-oxadiazoles was prepared in high yields.

A series of 5-arylidene-2-thiobarbiturates was synthesized by Knoevenagel condensation from thiobarbituric acid under mild conditions; the use of water as a solvent allowed obtaining the target products in yields up to 78%. The addition reaction of dimethyl phosphite to 5-arylidene-2-thiobarbiturates was studied. The optimal conditions for this reaction were selected, and the high efficiency of cesium fluoride as catalyst was shown.

To investigate the coordination chemistry of the complexes formed by aromatic thiosemicarbazones with main group elements, a number of complexes of benzaldehyde-derived thiosemicarbazone ligands with antimony(III) halides were synthesized. Three new complexes were prepared by the reaction of thiosemicarbazones with antimony(III) halides in 2 : 1 molar stoichiometric ratios. The molecular structures of these complexes were revealed using spectroscopic methods. The stoichiometric ratio in the complexes was determined by the elemental analysis method. By using FT-IR, FT-Raman and ¹H and ¹³C NMR spectroscopy methods, it was observed that thiosemicarbazones were bound in the thione form and η¹-S coordination type and µ₂-Cl bridging bond in all complexes. Thermal stability and degradation steps due to heating were examined by thermogravimetric differential thermal analysis method (TG-DTA).