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1.
Инвентарный номер: нет.
   
   G 33

    Gein, V. L.
    A novel four-component synthesis of ethyl 6-amino-4-aryl-5-cyano-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylates [Electronic resource] / V. L. Gein, T. M. Zamaraeva, P. A. Slepukhin. - [Б. м. : б. и.]. - Bibliogr. : p. 4528 (26 ref.). - Б. ц.
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
MULTICOMPONENT REACTION -- AROMATIC ALDEHYDES -- SODIUM DIETHYLOXALOACETATE
Аннотация: Ethyl 6-amino-4-aryl-5-cyano-2,4-dihydropyrano[2,3-с]pyrazole-3-carboxylates were synthesized via a four-component reaction of the sodium salt of diethyloxaloacetate, an aromatic aldehyde, hydrazine hydrate, and malononitrile. The products were obtained in moderate to high yields.

\\\\expert2\\nbo\\Tetrahedron Letters\\2014, v. 55, p. 4525.pdf
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2.
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    Conjugates of 8-[2,2’-bipyridinyl]coumarins as potential chemosensors for Al3+, Cu2+, Cd2+, Zn2+ ions: synthesis and photophysical properties / A. D. Sharapov, R. F. Fatykhov, I. A. Khalymbadzha [et al.] // Chimica Techno Acta. - 2023. - Vol. 10, № 4. - P202310417
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
CHEMOSENSORS -- COUMARINS -- 2,2’-BIPYRIDINES
Аннотация: In this work, we report the synthesis of novel coumarin-bipyridine conjugates using a sequence of C-C coupling reaction between 5,7-dimethoxycoumarins and 3-pyridyl-6-aryl-1,2,4-triazines followed by the Boger reaction with norbornandiene to obtain 8-[2,2'-bipyridyl]-5,7-dimethoxycoumarins. Photophysical properties were investigated for the obtained series of 8-[2,2'-bipyridyl]-5,7-dimethoxycoumarins: absorption and emission wavelength maxima are in the region of 212-296 and 401-410 nm, respectively; Stokes shifts are up to 116 nm, and fluorescence quantum yields are up to 15.0%. It was found that titrating the conjugates with Al3+, Zn2+, and Cd2+ ions results in an increase in the intensity of the emission maxima of the complexes, while the opposite effect was observed in the case of titration with Cu2+ ions. These findings suggest that the studied compounds may be considered as promising chemosensing materials. Finally, a positive solvatochromism of 8-[2,2'-bipyridyl]coumarins and their metal complexes was established. The experimental data are supported by mathematical calculations according to the Lippert-Matagaequation and Kosower diagram.

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3.
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    Synthesis and photophysical properties of pyridyl- and quinolinyl-substituted bis(arylthienyl)pyridines / T. N. Moshkina, E. V. Nosova, A. E. Kopotilova [et al.] // Journal of photochemistry and photobiology A: Chemistry. - 2022. - Vol. 427. - Ст. 113805
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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4.
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    Synthesis and photophysical properties of pyridyl- and quinolinyl-substituted 4-(4-aminophenyl)quinazolines / T. N. Moshkina, E. V. Nosova, A. E. Kopotilova [et al.] // Journal of photochemistry and photobiology A: Chemistry. - 2022. - Vol. 429. - Ст. 113917
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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5.
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    (A)symmetric chromophores based on cyano and fluorine-substituted 2,3-bis(5-arylthiophen-2-yl)quinoxalines: Synthesis, photophysical properties and application prospects / T. N. Moshkina, E. V. Nosova, A. E. Kopotilova [et al.] // Dyes and Pigments. - 2022. - Vol. 204. - Ст. 110434
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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6.
Инвентарный номер: нет.
   

   
    Transformations of 4,5-bis(trifluoromethyl)imidazolidin-2-one and its N-substituted analogous in reactions with N,N-dinucleophiles / L. V. Saloutina, A. Y. Zapevalov, M. I. Kodess [et al.] // AIP conference proceedings. - 2022. - Vol. 2390. - Ст. 020069
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
CHEMICAL COMPOUNDS
Аннотация: 4,5-Dihydroxy-4,5-bis(trifluoromethyl)imidazolidin-2-one and its N-methyl(phenyl)-substituted analogous were synthesized by the reaction of perfluorobiacetyl with urea and methyl(phenyl)urea. Depending on a solvent nature and character of the substituent at N-atom of the imidazolidine, different trifluoromethyl-containing heterocycles were obtained in reactions of the imidazolidin-2-ones with thiosemicarbazide and guanidine carbonate: imidazothiazol, 1,2,4-triazines, and hydantoins.

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7.
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    Reactions of trifluoromethylated imidazolidin-2-ones with urea / L. V. Saloutina, A. Y. Zapevalov, M. I. Kodess [et al.] // AIP conference proceedings. - 2022. - Vol. 2390. - Ст. 020070
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ISOMERIZATION -- SPECTROSCOPY -- ELEMENTAL ANALYSIS
Аннотация: 1-Phenyl-4,5-dihydroxy-4,5-bis(trifluoromethyl)imidazolidin-2-one was synthesized by the reaction of perfluorobiacetyl with phenylurea. Reaction of the former with urea was studied in comparison with the similar interaction of N-methyl-substituted and unsubstituted analogues. N-phenylimidazolidine was shown to yield trifluoromethylated imidazooxazol and hydantoin when heated with urea in dimethylacetamide, in contrast to unsubstituted analog which gives trifluoromethylated glycoluril under the same conditions. The similar reaction in dioxane led to isomerization of cis-isomers of the starting imidazolidines to corresponding trans-isomers. Structure of the reaction products was proved by IR, 1H, 13C and 19F spectroscopy, HR mass spectrometry, elemental analysis and XRD analysis.

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8.
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    Opening of the 1,3,5-triazine ring in 3-methyl-5-(trinitromethyl)tetrazolo[1,5-a][1,3,5]triazin-7-one by the action of alcohols / V. V. Bakharev, A. A. Gidaspov, V. A. Zalomlenkov [et al.] // Chemistry of Heterocyclic Compounds. - 2022. - Vol. 58. - P153–158
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: It was shown for the first time that in the reaction of 3-methyl-5-(trinitromethyl)tetrazolo[1,5-a][1,3,5]triazin-7-one with alcohols in the presence of bases, along with the expected substitution of the trinitromethyl group, opening of the 1,3,5-triazine ring with the addition of an alcohol at the site of the C–N bond cleavage takes place. It was found that in the absence of bases only opening of the 1,3,5-triazine ring occurs with the formation of alkyl esters of {1-[(1-methyl-1H-tetrazol-5-yl)imino]-2,2,2-trinitroethyl}carbamic acid, and the trinitromethyl group retains high reactivity and can be substituted by the action of alcohols in the presence of a base.

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9.
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    1H-pyrazole-appended pyridines and their 1,2,4-triazine precursors: a rational synthesis and in silico and in vitro evaluation of anti-cancer activity / A. P. Krinochkin, Y. K. Shtaitz, A. K. Rammohan [et al.] // European Journal of Organic Chemistry. - 2022. - Vol. 2022, № 22. - Pe202200227
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: An operationally facile and high yielding one-pot protocol has been developed for the preparation of pyridines appended with pyrazole via NH linker. This protocol includes SNipso/aza-Diels-Alder reactions in up to 54 % yields starting from 1,2,4-triazine precursors. All the synthesized compounds have been evaluated for their in silico activity against JAK1, SYK, and FAK1 kinases. The most promising compound was tested in vitro using A-172, Hs578T, and HepG2 cancer cell lines and exhibited considerable cytotoxicity with IC50 values 50 μM in A-172 and HepG2 cell lines. Anticancer in vitro activity correlates well with the predicted in silico data.

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10.
Инвентарный номер: нет.
   

   
    Azolo[5,1-c][1,2,4]triazines and azoloazapurines: synthesis, antimicrobial activity and in silico studies / E. K. Voinkov, R. A. Drokin, V. V. Fedotov [et al.] // ChemistrySelect. - 2022. - Vol. 7, № 5. - Pe202104253
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The present work reports on the synthesis of series of azolo[5,1-c][1,2,4]triazines and derivatives of azoloazapurines. The synthesized compounds were tested in vitro for antibacterial activity against N. gonorrhoeae and antimycotic activity against Trichophyton interdigitale, Epidermophyton floccosum, Microsporum canis and Candida albicans. It was found that 10 compounds of the series of 3-nitroazolo[5,1-c][1,2,4]triazine-4-amines 4 exhibit high antibacterial activity (MIC≤15 μg/ml), but do not exhibit antimycotic activity. For compounds active against N. gonorrhoeae, a biological target was predicted from the pharmacophore search method and homologous modeling was carried out for it. The results of molecular docking using the constructed model of dihydrofolate reductase have a good correlation with in vitro tests. Refined docking showed the similarity of the leading compounds positions in the protein active site. The formation of stable non-covalent bonds of the nitro group with the amino acid residues Lys34/Lys55 makes a major contribution to the orienting effect of ligands.

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11.
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    Oximes of fluoroalkyl-containing 1,3-diketones: specific features of synthesis, analysis, and thermal stability / N. S. Boltacheva, P. A. Slepukhin, M. G. Pervova [et al.] // Russian chemical bulletin. - 2022. - Vol. 71, № 4. - P1464-1473
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Nitrosation of lithium 1,3-diketonates bearing fluoroalkyl and aryl (or hetaryl) substituents in positions 1 and 3 results in 3-polyfluoroalkyl-1,2,3-propanetrione 2-oximes (from this point on, oximes). Under similar conditions, lithium (Z)-1,1,1-trifluoro-4-oxo-4-(thien-2-yl)-2-buten-2-olate forms a hydration product of the corresponding oxime. Nitrosation of fluoroalkyl-containing lithium 1,3-diketonates is accompanied by retro-decomposition of the initial lithium 1,3-diketonates and the target oximes (or their hydration products) followed by oxidation and hydrolysis of the reaction products. Under the GC-MS conditions, the oximes undergo partial thermal decomposition to 2-aryl(hetaryl)-2-oxoethanenitriles. An analysis of solutions of the oximes in DMSO-d6 by 1H and 19F NMR spectroscopies revealed isomerization and hydration of these compounds. The temperature ranges of stability of the oximes were determined by thermogravimetric analysis and differential thermal analysis. The molecular and crystal structures of 4,4-difluoro-1-(4-methoxyphenyl)-1,2,3-butanetrione 2-oxime and 4,4,4-trifluoro-1-(thien-2-yl)-1,2,3-butanetrione 2-oxime were determined by X-ray diffraction.

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12.
Инвентарный номер: нет.
   

   
    Oximes of fluoroalkyl-containing 1,3-diketones: specific features of synthesis, analysis, and thermal stability / N. S. Boltacheva, P. A. Slepukhin, M. G. Pervova [et al.] // Russian chemical bulletin. - 2022. - Vol. 71, № 7. - P1464-1473
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Nitrosation of lithium 1,3-diketonates bearing fluoroalkyl and aryl (or hetaryl) substituents in positions 1 and 3 results in 3-polyfluoroalkyl-1,2,3-propanetrione 2-oximes (from this point on, oximes). Under similar conditions, lithium (Z)-1,1,1-trifluoro-4-oxo-4-(thien-2-yl)-2-buten-2-olate forms a hydration product of the corresponding oxime. Nitrosation of fluoroalkyl-containing lithium 1,3-diketonates is accompanied by retro-decomposition of the initial lithium 1,3-diketonates and the target oximes (or their hydration products) followed by oxidation and hydrolysis of the reaction products. Under the GC-MS conditions, the oximes undergo partial thermal decomposition to 2-aryl(hetaryl)-2-oxoethanenitriles. An analysis of solutions of the oximes in DMSO-d6 by 1H and 19F NMR spectroscopies revealed isomerization and hydration of these compounds. The temperature ranges of stability of the oximes were determined by thermogravimetric analysis and differential thermal analysis. The molecular and crystal structures of 4,4-difluoro-1-(4-methoxyphenyl)-1,2,3-butanetrione 2-oxime and 4,4,4-trifluoro-1-(thien-2-yl)-1,2,3-butanetrione 2-oxime were determined by X-ray diffraction.

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13.
Инвентарный номер: нет.
   

   
    Single-crystal X-ray diffraction analysis of arylamine-containing 2,2′-bipyridine derivatives / P. A. Slepukhin, A. P. Krinochkin, E. S. Starnovskaya [et al.] // Russian chemical bulletin. - 2022. - Vol. 71, № 7. - P1533-1543
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The structures of six 2,2′-bipyridine derivatives containing aromatic amine moieties, namely N-aryl-4-aryl-1-(pyridin-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine-3-amines, were studied by single-crystal X-ray diffraction. The molecular structures and the effect of the substituents of these compounds on the crystal packing are discussed.

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14.
Инвентарный номер: нет.
   

   
    Platinum(II) acetylacetonate complex based on 5-(3-aminophenyl)-2-(2-thienyl)pyridine: synthesis, crystal structure, and photophysical properties / D. S. Kopchuk, P. A. Slepukhin, O. S. Taniya [et al.] // Russian Journal of Coordination Chemistry. - 2022. - Vol. 48, № 7. - P430-435
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The Pt(II) acetylacetonate complex [(L)Pt(Acac)] based on aminophenyl-substituted 2-(2-thienyl)pyridine (L) was synthesized, its photophysical properties were studied and compared with these properties for a similar complex containing no amino group in the ligand. The structure of the complex was confirmed by X-ray diffraction (CIF file CCDC no. 2144689), 1H and 13C NMR spectroscopy, ESI mass spectrometry, and elemental analysis.

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15.
Инвентарный номер: нет.
   
   M 61

   
    Methods of Synthesis and Antiviral Activity of New 4-Alkyl-3-Nitro-1,4-Dihydroazolo[5,1-c][1,2,4]Triazin-4-ols / R. A. Drokin, D. V. Tiufiakov, E. K. Voinkov [et al.] // Chemistry of Heterocyclic Compounds. - 2021. - Vol. 57, № 4. - P473–478
ББК Г
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
3-NITROAZOLO[5,1-С][1,2,4]TRIAZINES -- a-NITRO KETONES -- TRIAZINES
Аннотация: An azo coupling reaction of α-nitro ketones with 5-diazoazoles was used to obtain 4-alkyl-3-nitro-1,4-dihydroazolo[5,1-с][1,2,4]triazines, which were characterized with respect to their antiviral activity against influenza and Coxsackie B3 viruses.

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16.
Инвентарный номер: нет.
   
   S 98

   
    Synthesis and antiviral activity of nonannulated tetrazolylpyrimidines / V. A. Ostrovskii, G. G. Danagulyan, O. M. Nesterova [et al.] // Chemistry of Heterocyclic Compounds. - 2021. - Vol. 57, № 4. - P448–454
УДК
Г
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
PYRIMIDINES -- TETRAZOLES -- BIOLOGICAL ACTIVITY -- LINKERS
Аннотация: Nonannulated tetrazolylpyrimidines in the structure of which the heterocyclic fragments are separated by hydrazinocarbonylmethyl, methylpyrazolyl groups or a sulfur atom were synthesized. Some of these compounds showed moderate in vitro activity against H1N1 subtype of influenza A virus. The selectivity index of the anti-influenza action of {5-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1H-tetrazol1-yl}acetic acid, which has very low cytotoxicity, was twice as high as the selectivity index of the reference drug rimantadine.

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17.
Инвентарный номер: нет.
   

   
    2-Aminooxazoles as novel dienophiles in the inverse demand Diels–Alder reaction with 1,2,4-triazines / A. P. Krinochkin, G. Mallikarjuna Reddy, D. S. Kopchuk [et al.] // Mendeleev Communications. - 2021. - Vol. 31, № 4. - P542-544
ББК Г
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
1,2,4-TRIAZINES -- OXAZOL-2-AMINES -- DIELS–ALDER REACTION -- 2,2'-BIPYRIDIN-3-OLS
Аннотация: High temperature coupling of 6-aryl-5-cyano-3-(pyridin-2-yl)-1,2,4-triazines with 2-amino-4-aryloxazoles proceeds as the inverse demand Diels–Alder reaction between the oxazole moiety as dienophile and the 1,2,4-triazine moiety as diene to construct new 4,5-diaryl-6-cyano-3-hydroxypyridin-2-yl fragment. A reaction mechanism is proposed, and the structure of the key-product is proved by the X-ray diffraction analysis.

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18.
Инвентарный номер: нет.
   
   S 98

   
    Synthesis and structure of homoleptic copper complexes based on fluorinated functionalized 1,3-diketones / V. I. Saloutin, Y. V. Burgart, Y. O. Edilova [et al.] // Russian chemical bulletin. - 2021. - Vol. 70, № 5. - P839-846
ББК Г
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
FLUORINATED 1,3-DIKETONATES -- CLAISEN CONDENSATION -- ACETALS -- TRANSITION METAL DIKETONATES
Аннотация: Mononuclear copper(II) complexes were synthesized based on fluorinated diketonates decorated with a carbonyl or acetal group. The X-ray diffraction data demonstrate the effect of the nature of the fluorinated substituent on the crystal structure of homoleptic copper(II) complexes. As opposed to 1,2,4-triketonate, the acetal moiety of 1,3-diketonate enables intermolecular coordination to the metal centers, thereby making it possible to use 1,3-diketonate in further synthesis of heterometallic structures.

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19.
Инвентарный номер: нет.
   

   
    Role of alkyl substituents in the structure and luminescence properties of discrete terbium(III)-lithium(I) Β-diketonates / Y. S. Kudyakova, P. A. Slepukhin, M. S. Valova [et al.] // Journal of molecular structure. - 2021. - Vol. 1226. - P129331
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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20.
Инвентарный номер: нет.
   

   
    New multicomponent approach to polyfluoroalkylated pyrido[1,2-a]pyrimidine derivatives and bis-cyclohexenones / M. V. Goryaeva, S. O. Kushch, O. G. Khudina [et al.] // Journal of fluorine chemistry. - 2021. - Vol. 241. - P109686
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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