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1.
Инвентарный номер: нет.
   

   
    15N chemical shifts and Jnn-couplings as diagnostic tools for determination of the azide-tetrazole equilibrium in tetrazoloazines / S. L. Deev, T. S. Shestakova, Z. O. Shenkarev [et al.] // Journal of Organic Chemistry. - 2022. - Vol. 87, № 1. - P211–222
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Selectively 15N-labeled tetrazolo[1,5-b][1,2,4]triazines and tetrazolo[1,5-a]pyrimidines bearing one, two, or three 15N labels were synthesized. The synthesized compounds were studied by 1H, 13C, and 15N NMR spectroscopy in DMSO and TFA solutions, where the azide–tetrazole equilibrium can lead to the formation of two tetrazole (T, T′) isomers and one azide (A) isomer for each compound. Incorporation of the 15N-label(s) leads to the appearance of 15N–15N coupling constants (JNN), which can be easily measured via simple 1D 15N NMR spectra, even at natural abundance between labeled and unlabeled 15N atoms. The chemical shifts for the 15N nuclei in the azole moiety are very sensitive to the ring opening and azide formation, thus providing information about the azido–tetrazole equilibrium. At the same time, the 1–2JNN couplings between 15N-labeled atoms in the azole and azine fragments unambiguously determine the fusion type between tetrazole and azine rings in the cyclic isomers T and T′. Thus, combined analysis of 15N chemical shifts and JNN values in selectively isotope-enriched compounds provides an effective diagnostic tool for direct structural determination of tetrazole isomers and azide form in solution. This method was found to be the most simple and efficient way to study the azido–tetrazole equilibrium.

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2.
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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3.
Инвентарный номер: нет.
   
   A 10

   
    A new antiviral drug triazavirin: Results of phase II clinical trial [Электронный ресурс] / O. I. Kiselev, E. G. Deyeva, T. I. Melnicova, K. N. Kozeletskaia, A. S. Klselev, V. L. Rusinov, V. N. Charushin, O. N. Chupakhin // Voprosy Virusologii . - 2012. - Vol.57, №6. - P9-12
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
CLINICAL TRIAL -- EFFICACY -- INFLUENZA
Аннотация: The results of the clinical trial testing the efficacy of a new anti-influenza drug Triazavirin are presented in this work. The data of the trial were gathered during the 2010 influenza season. The treatment with oral Triazavirin significantly reduced the duration of the main clinical symptoms of influenza (intoxication, fever, respiratory symptoms), decreased the incidence of the influenza-related complications and the use of symptomatic drugs. The re-isolation rate of the influenza A and B viruses was significantly lower in the patients who were using Triazavirin. The analysis of the clinical data showed that the optimal prescribed dosage was 250 mg 3 times a day. -------------------------------------------------------------------------------- Reaxys Database Information|

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4.
Инвентарный номер: нет.
   
   A 99

   
    Azapyrene-based fluorophores: synthesis and photophysical properties / O. S. Taniya, A. F. Khasanov, M. V. Varaksin [et al.] // New Journal of Chemistry. - 2021. - Vol. 45, № 45. - P20955-20971
ББК Г
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Azapyrenes are the nitrogen isosteres of pyrene. Based on theoretical and experimental studies, electron–acceptor azapyrene domains may be considered as convenient scaffolds for constructing a large variety of “push–pull” π-conjugated chromophores with pronounced ICT properties. Over the past decade, due to the unrelenting interest in functional materials and modern methodologies such as cross-coupling, peri-annulation, direct C–H-functionalization, etc., methods for the synthesis of aryl(alkyl) K-functionalized azapyrenes and other derivatives have been developed, and their photophysical and electrochemical properties have been studied. This short review aims at critical analysis of the best known/modern methods for the preparation of functionalized azapyrene derivatives, as well as an assessment of their photophysical/electrochemical properties in comparison with the structural and electronic properties of the parent pyrene.

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5.
Инвентарный номер: нет.
   
   C 73

   
    Combination of the Suzuki–Miyaura cross-coupling and nucleophilic aromatic substitution of hydrogen (HSN) reactions as a versatile route to pyrimidines bearing thiophene fragments / E. V. Verbitskiy, E. M. Cherprakova, P. A. Slepukhin, M. I. Kodess, M. A. Ezhikova, M. G. Pervova, G. L. Rusinov, O. N. Chupakhin, V. N. Charushin // Tetrahedron. - 2012. - Vol.68, №27-28. - С. 5445-5452
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
SUZUKI–MIYAURA -- CROSS-COUPLING -- PYRIMIDINES
Аннотация: It has been shown that combination of the Suzuki–Miyaura cross-coupling and nucleophilic aromatic substitution of hydrogen is a versatile method for the synthesis of 4-(thiophen-2-yl)-, 5-(thiophen-2-yl)-, and 4,5-di(thiophen-2-yl) substituted pyrimidines from the commercially available 5-bromopyrimidine. The HSN (AE)- and HSN (AO)-reactions of 5-bromopyrimidine with thiophene and 2-bromothiophene have been studied by gas–liquid chromatography/mass-spectrometry. The structures of intermediate σH-adducts, as well as thiophene-(thiophenyl)pyrimidine and bithiophene-(thiophenyl)pyrimidine dyads have first been established by X-ray crystallography analysis

\\\\Expert2\\nbo\\Tetrahedron\\2012, v. 68, p. 5445.pdf
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6.
Инвентарный номер: нет.
   

   
    Computer vision vs. spectrofluorometer-assisted detection of common nitro-explosive components with bola-type PAH-based chemosensors / I. S. Kovalev, L. K. Sadieva, O. S. Taniya [et al.] // RSC Advances. - 2021. - Vol. 11, № 42. - P25850-25857
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Computer vision (CV) algorithms are widely utilized in imaging processing for medical and personal electronics applications. In sensorics CV can provide a great potential to quantitate chemosensors' signals. Here we wish to describe a method for the CV-assisted spectrofluorometer-free detection of common nitro-explosive components, e.g. 2,4-dinitrotoluene (DNT) and 2,4,6-trinitrotoluene (TNT), by using polyaromatic hydrocarbon (PAH, PAH = 1-pyrenyl or 9-anthracenyl) – based bola-type chemosensors. The PAH components of these chemical bolas are able to form stable, bright emissive in a visual wavelength region excimers, which allows their use as extended matrices of the RGB colors after imaging and digital processing. In non-polar solvents, the excimers have poor chemosensing properties, while in aqueous solutions, due to the possible micellar formation, these excimers provide “turn-off” fluorescence detection of DNT and TNT in the sub-nanomolar concentrations. A combination of these PAH-based fluorescent chemosensors with the proposed CV-assisted algorithm offers a fast and convenient approach for on-site, real-time, multi-thread analyte detection without the use of fluorometers. Although we focus on the analysis of nitro-explosives, the presented method is a conceptual work describing a general use of CV for quantitative fluorescence detection of various analytes as a simpler alternative to spectrofluorometer-assisted methods.

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7.
Инвентарный номер: нет.
   
   C 75

   
    Consecutive S-N(H) and Suzuki–Miyaura Cross-Coupling Reactions – an Efficient Synthetic Strategy to Pyrimidines Bearing Pyrrole and Indole Fragments / E. V. Verbitskiy, G. L. Rusinov, V. N. Charushin, O. N. Chupakhin, E. M. Cheprakova, P. A. Slepukhin, M. G. Pervova, M. I. Kodess // European Journal of Organic Chemistry. - 2012. - Vol. 2012, №33. - С. 6612-6621
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
SYNTHETIC METHODS -- CROSS-COU­PLING -- NITROGEN HETEROCYCLES
Аннотация: The combination of the Suzuki–Miyaura cross-coupling and nucleophilic aromatic substitution of hydrogen reactions is a versatile tool for the syntheses of 4-(1R-pyrrol-2-yl)- and 4-(1R-indol-3-yl)-5-(hetero)aryl-substituted pyrimidines from commercially available 5-bromopyrimidine. The SNH [AE, (addition–elimination)] and SNH [AO, (addition–oxidation)] reactions of 5-bromopyrimidine with pyrroles and indoles were studied by gas chromatography–mass spectrometry. The structures of the intermediate σH adducts as well as the pyrrole-(hetero)arylpyrimidine and indole-(hetero)arylpyrimidine dyads were established for the first time by X-ray crystal structure analysis

\\\\Expert2\\nbo\\European Journal of Organic Chemistry\\2012, p.6612.pdf
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8.
Инвентарный номер: нет.
   
   C 91

   
    Crystal structure of lithium 1-phenyl-4,4-difluoro-1,3-butadionate [Electronic resource] / N. S. Karpenko, V. I. Filyakova, G. G. Aleksandrov, V. N. Charushin // Journal of Structural Chemistry. - 2005. - Vol. 46, № 5. - P955-959
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The crystal structure of lithium 1-phenyl-4,4-difluoro-1,3-butadionate composed of-O-Li-O-bond chains was determined by XRD. In these chains, the lithium atoms, tetrahedrally coordinated with oxygen, alternate with square-bipyramidal units containing four Li-O bonds and two weak Li-F interactions

\\\\Expert2\\nbo\\Journal of Structural Chemistry\\2005, V. 46, N 5, p.955.pdf
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9.
Инвентарный номер: нет.
   
   C 98

   
    Cyclization of N-alkylazinium cations with bisnucleophiles. 3. endo adducts in the reaction of quinoxalium salts with β-diketones and their x-ray diffraction analysis [Electronic resource] / O. N. Chupakhin, V. N. Charushin, N. A. Klyuev, A. I. Rezvukhin, V. A. Semion // Chemistry of Heterocyclic Compounds. - 1981. - Vol. 17, № 10. - P1046-1052. - Bibliogr. : p. 1052 (22 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
N-ALKYLQUINOXALINLUM SALTS -- β-DICARBONYL COMPOUNDS -- CYCLOADDUCTS
Аннотация: The cyclization of N-alkylquinoxalinium salts with the anions of β-dicarbonyl compounds proceeds regioselectively and stereoselectively and leads to endo-3a, 4,9,9a-tetrahydrofuro[2,3-b]quinoxalines. The structure of the cycloadducts was established on the basis of the 1H and 13C NMR spectra and the results of x-ray diffraction analysis

\\\\expert2\\nbo\\Chemistry of Heterocyclic Compounds\\1981, v.17, N 10, p.1046.pdf
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10.
Инвентарный номер: нет.
   
   C 98

   
    Cyclizations of N-alkylazinium cations with bifunctional nucleophiles. 19. Crystal structure of the kinetic product of the reaction of N-methylquinoxalinium iodide with thioacetamide [Electronic resource] / D. S. Yufit, Yu. T. Struchkov, V. N. Drozd, V. G. Baklykov, V. N. Charushin, O. N. Chupakhin // Chemistry of Heterocyclic Compounds. - 1985. - Vol. 21, № 10. - С. 1168-1171. - Bibliogr. : p. 1170-1171 (13 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
HETERORINGS -- N-METHYLQUINOXALINIUM IODIDE
Аннотация: The mutual orientation of the heterorings and the three-dimensional structure of the kinetic product of the reaction of N-methylquinoxalinium iodide with thioacetamide were established by x-ray diffraction analysis of 2,4-dimethyl-9-acetyl-3a,4,9,9a-tetrahydrothiazolo [4,5-b]quinoxaline.

\\\\expert2\\nbo\\Chemistry of Heterocyclic Compounds\\1985, v.21, N 10, p. 1168.pdf
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