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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.
   

   
    1H and 13C NMR spectra of tetrahydroquinoxalines condensed with six-membered heterocycles [Electronic resource] / V. N. Charushin, N. N. Sorokin, A. I. Chernyshev, V. G. Baklykov, M. G. Ponizovskii, O. N. Chupakhin // Magnetic Resonance in Chemistry. - 1986. - Vol. 24, № 9. - С. 777-782. - Bibliogr. : p. 782 (16 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
1H NMR -- 13C NMR -- CONDENSED TETRAHYDROQUINOXALINES
Аннотация: The 1H and 13C NMR spectra of tetrahydroquinoxalines condensed with pyridazine, pyrazine, oxazine, oxadiazine, thiadiazine or triazine rings have been measured in DMSO-d6 solution. The effects of six-membered heterocycles on 1H and 13C chemical shifts and the values of one-bond 1J(CH) and vicinal 3J(HH) coupling constants for the ring junction fragment are considered. The differences between the 1H and 13C spectral parameters of tetrahydroquinoxalines annelated with five- or six-membered heterocycles with the same set of heteroatoms attached to the ring junction carbons are also discussed.

\\\\expert2\\nbo\\Magnetic Resonance in Chemistry\\1986, v.24, N 9, p.777.pdf
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3.
Инвентарный номер: нет.
   

   
    5(6)-Fluoro-6(5)-R-benzofuroxans: synthesis and NMR 1H, 13C and 19F studies [Text] / S. K. Kotovskaya, S. A. Romanova, V. N. Charushin, M. I. Kodess, O. N. Chupakhin // Journal of Fluorine Chemistry. - 2004. - Vol. 125, № 3. - P421-428 : ил. - Библиогр.: с. 428 (14 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
5,6-DIFLUOROBENZOFUROXAN -- NUCLEOPHILIC SUBSTITUTION -- X-RAY CRYSTALLOGRAPHY
Аннотация: 5(6)-Fluoro-6(5)-substituted benzofuroxans were obtained by the reactions of 5,6-difluorobenzofuroxan with a number of nucleophiles, such as alkylamines, cycloalkylimines, sodium azide and sodium alkoxides. The features of tautomerism in the series of asymmetrical 5(6)-fluorobenzofuroxans in acetone solutions have been studied by 1H, 13C and 19F NMR.????

\\\\Expert2\\nbo\\Journal of Fluorine Chemistry\\2004, v.125, p.421.pdf
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4.
Инвентарный номер: нет.
   
   A 18

   
    Acidic hydrolysis of N-acyl-1-substituted 3-amino-1,2-dicarba-closo-dodecaboranes [Electronic resource] / G. L. Levit, A. M. Demin, M. I. Kodess, M. A. Ezhikova, L. Sh. Sadretdinova, V. A. Ol'shevskaya, V. N. Kalinin, V. P. Krasnov, V. N. Charushin // Journal of Organometallic Chemistry. - 2005. - Vol. 690, № 11. - P2783-2786
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Acidic hydrolysis of N-acyl 1-methyl- and 1-phenyl-3-amino-1,2-dicarba-closo-dodecaboranes has been studied. It has been shown that acidic hydrolysis of diastereomeric amides of 1-methyl-3-amino-1,2-dicarba-closo-dodecaborane results in the partial racemization of the target 3-amino-1-methylcarborane. Under the similar conditions, the hydrolysis of N-acyl-3-amino-1-phenyl-1,2-dicarba-closo-dodecaboranes resulted in amide bond cleavage accompanied by simultaneous deboronation with the removal of boron atom at position 6 of carborane cage and formation of 7,8-dicarba-nido-undecaborane derivative according to 11B and 1H NMR spectroscopy.

\\\\Expert2\\nbo\\Journal of Organometallic Chemistry\\2005, v. 690, p.2783.pdf
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5.
Инвентарный номер: нет.
   
   A 53

   
    An Unusually easy oxidative dequaternization of N-alkyl-1,2,4-triazinium salts [Electronic resource] / O. N. Chupakhin, B. V. Rudakov, P. McDermott, S. G. Alexeev, V. N. Charushin, F. Hegarty // Mendeleev Communications. - 1995. - Vol. 5, № 3. - P104-105
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Unusually easy dequaternization has been found to occur on treatment of 1-alkyl-3-morpholino-5-phenyl-1,2,4-triazinium iodides with triethylamine in alcohol or acetone solutions at room temperature; a plausible reaction mechanism has been advanced on the basis of NMR and kinetic studies

\\\\expert2\\nbo\\Mendeleev Communications\\1995, v.5, N 3. p.104.pdf
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6.
Инвентарный номер: нет.
   
   A 67

   
    Application of 1H and 13C NMR to the structural elucidation of tetrahydroquinoxalines condensed with five-membered heterocycles [Electronic resource] / V. N. Charushin, A. I. Chernyshev, N. N. Sorokin, O. N. Chupakhin // Organic Magnetic Resonance. - 1984. - Vol. 22, № 12. - P775-778. - Bibliogr. : p. 778 (22 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
N-METHYLTETRAHYDROQUINOXALINES -- PYRROLE -- IMIDAZOLE
Аннотация: 1H and 13C NMR spectral data for 21 N-methyltetrahydroquinoxalines annelated with furan, pyrrole, imidazole or thiazole rings are reported. Unambiguous assignments of the ring junction 13C resonances were made on the basis of selective decoupling experiments and with the aid of one-bond and long-range 13C–1H coupling constants. The effects of five-membered heterocycles on the 1H and 13C chemical shifts of the ring junction hydrogen and carbon atoms are considered. Values of one-bond 1J(CH) and vicinal 3J(HH) coupling constants between the ring junction protons are also discussed as a diagnostic means for structural elucidation of tetrahydroquinoxalines condensed with five-membered heterocycles.

\\\\expert2\\nbo\\Organic Magnetic Resonance\\1984. V. 22, N 12. P. 775.pdf
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7.
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    Betaine–N-heterocyclic carbene interconversions of quinazolin-4-one imidazolium mesomeric betaines. sulfur, selenium, and borane adduct formation / S. L. Deev, E. Sheina, T. S. Shestakova [и др.] // European journal of organic chemistry. - 2020. - № 4. - С. 450-465
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ANIONIC NHCS -- BETAINES -- BORON COMPOUNDS -- CARBENES -- CYCLIC BORATES -- IMIDAZOL-2-YLIDENE
Аннотация: Reaction of N-alkylated imidazoles with 2-chloro-4-quinazolinone gave mesomeric betaines, 2-(1-alkyl-1H-imidazolium-3-yl)quinazolin-4-olates, for which three tautomeric forms of N-heterocyclic carbenes (NHCs) can be formulated, in addition to an anionic NHC after deprotonation. The NHC tautomers were trapped with sulfur, selenium, triethylborane, and triphenylborane as thiones, selenones and borane adducts, respectively. We obtained two isomers of the cyclic borane adducts, diazaboroloquinazolinones with [1,5-a] and [5,1-b]-type fusion between the quinazolinone and the diazaborole rings. They correspond to two different NHC tautomers and to the anionic NHC derived thereof. The third NHC tautomer was trapped as a non-cyclic adduct with tris(pentafluorophenyl)borane by coordination to the quinazoline oxygen atom. 2D 1H-15N HMBC experiments of 15N-labeled quinazolinone fragments, quantitative measurements of long-range 1H-15N coupling constants (JHN), and five X-ray single crystal analyses have been carried out for the structure elucidations and to gain insight into the NMR spectroscopic properties of these compounds.

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8.
Инвентарный номер: нет.
   
   C 47

    Charushin, V. N.
    Ring transformations of 5-nitropyrimidine via inverse diels-alder reactions [Electronic resource] / V. N. Charushin, Y. C. Van der Plas // Tetrahedron Letters. - 1982. - Vol. 23, № 38. - P3965-3968. - Bibliogr. : p. 3968 (17 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
5-NITROPYRIMIDINES -- ENAMINES -- DIELS-ALDER REACTIONS
Аннотация: 5-Nitropyrimidine undergoes inverse Diels-Alder cycloadditions with ketene_N,N-, -O,O- acetals and enamines resulting in pyridine derivatives. The 1H NMR evidence for the 1-N,N-diethyl-aminopropyne cycloadduct formation is presented

\\\\expert2\\nbo\\Tetrahedron Letters\\1982, v 23, p.3965.pdf
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9.
Инвентарный номер: нет.
   
   C 57

    Chupakhin, O. N.
    Application of 1H, 13C and 15N NMR in the chemistry of 1,4-diazines [Electronic resource] / O. N. Chupakhin, V. N. Charushin, A. I. Chernyshev // Progress in Nuclear Magnetic Resonance Spectroscopy. - 1988. - Vol. 20, № 2. - С. 95-206. - Bibliogr. : p. 197-206 (202 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
1,4-DIAZINES -- 15N NMR -- 13C -- 1H

\\\\expert2\\nbo\\Progress in Nuclear Magnetic Resonance Spectroscopy\\1988. V. 20, N 2. P. 95-206.pdf
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10.
Инвентарный номер: нет.
   
   C 98

   
    Cyclization of N-alkylazinium cations with bifunctional nucleophiles. 16. σ-adducts of quinoxalinium salts with amines, alcohols, and enolates and their role in cyclizations with β-dicarbonyl compounds [Electronic resource] / V. N. Charushin, M. G. Ponizovskii, O. N. Chupakhin, E. O. Sidorov, I. M. Sosonkin // Chemistry of Heterocyclic Compounds. - 1985. - Vol. 21, № 5. - С. 564-572. - Bibliogr. : p. 571-572 (16 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ACETYLACETONE -- 1H NMR SPECTROSCOPY -- N-METHYLQUINOXALINIUM CATION
Аннотация: In the reaction of N-methylquinoxalinium iodide with acetylacetone at −30 °C, the formation of 3-acetyl-2,4-dimethyl-3a,4,9,9a-tetrahydrofuro[2,3-b]quinoxaline has been recorded by 1H NMR spectroscopy, this being a regioisomer of the 3-acetyl-2,9-dimethyl-3a,4,9,9a-tetrahydro[2,3-b]quinoxaline formed in this reaction at temperatures above −10 °C. σ-Adducts of the N-methylquinoxalinium cation with alcohols, amines, and β-diketones have also been identified, and their role in cyclizations leading to the annelation of a furan ring is discussed.

\\\\expert2\\nbo\\Chemistry of Heterocyclic Compounds\\1985, v.21, N 5, p. 564.pdf
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11.
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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12.
Инвентарный номер: нет.
   

   
    Dataset of NMR-spectra pyrrolyl- and indolylazines and evidence of their ability to induce heat shock genes expression in human neurons / E. A. Dutysheva, I. A. Utepova, M. A. Trestsova [et al.] // Data in Brief. - 2021. - № 39. - P107562
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
PYRROLYLAZINES -- INDOLYLAZINES -- PHOTOCATALYSIS -- NUCLEAR MAGNETIC RESONANCE -- GREEN CHEMISTRY
Аннотация: These data are related to our previous paper “Synthesis and approbation of new neuroprotective chemicals of pyrrolyl-and indolylazine classes in a cell model of Alzheimer’s disease” (Dutysheva et al., 2021), in which we demonstrate neu-roprotective abilities of pyrrolyl- and indolylazines in a cell model of Alzheimer’s disease. Using a novel procedure of photocatalysis we have synthesized a group of new compounds. The current article presents nuclear magnetic resonance spectra including heteronuclear single quantum coherence spectra of chemicals synthesized by us. The effect of new compounds have on heat shock proteins genes expression in reprogrammed human neurons are presented. We also presented data that verify neuronal phenotype of reprogrammed cells.

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13.
Инвентарный номер: нет.
   
   E 43

   
    Electrophilic heterocyclization reactions of allylamino- and propargylamino-substituted sym-tetrazines in the presence of HgI2 / R. I. Ishmetova, I. A. Belyaninova, N. K. Ignatenko, P. A. Slepukhin, G. L. Rusinov, V. N. Charushin // Chemistry of Heterocyclic Compounds. - 2017. - Vol. 53, № 2. - P213-218
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
1,2,4,5-TETRAZINES -- ELECTROPHILIC HETEROCYCLIZATION -- IMIDAZO[1,2-B][1, 2, 4, 5]TETRAZINES -- MERCURY(ii) IODIDE -- NUCLEOPHILIC SUBSTITUTION
Аннотация: A range of 3-azolyl-6-methylimidazo[1,2-b][1,2,4,5]tetrazines was obtained for the first time by electrophilic heterocyclization of 6-allylamino-3-azolyl- and 3-azolyl-6-propargylamino-1,2,4,5-tetrazines in the presence of HgI2. The structures of the starting materials and final products were confirmed by 1Н and 13С NMR spectroscopy, elemental analysis, and X-ray structural analysis.

\\\\Expert2\\NBO\\Chemistry of Heterocyclic Compounds\\2017 v.53 p.213-218.pdf
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14.
Инвентарный номер: нет.
   
   F 70

   
    Fluorine-containing Heterocycles. XI. 5(6)-Fluoro-6(5)-X-benzofuroxans: Synthesis, Tautomerism, and Transformations [Electronic resource] / O. N. Chupakhin, S. K. Kotovskaya, S. A. Romanova, V. N. Charushin // Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii). - 2004. - Vol. 40, № 8. - P1167-1174
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Features of 5(6)-fluoro-6(5)-X-benzofuroxans tautomerism were investigated. By 1H, 13C, and 19F NMR spectroscopy the direction of Boulton-Katritzky rearrangement in nitration, nitrosation, and azo coupling of fluorine-containing furoxanes was determined

\\\\Expert2\\nbo\\Russian Journal of Organic Chemistry\\2004, 40 (8), 1167.pdf
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15.
Инвентарный номер: нет.
   
   F 70

   
    Fluorine-containing pyrido[1,2-a]quinazolin-6-ones [Electronic resource] / E. V. Nosova, G. N. Lipunova, M. I. Kodess, E. B. Vasil'eva, V. N. Charushin // Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya). - 2004. - Vol. 53, № 10. - P2314-2318
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Reactions of 2-aminopyridine and 2-amino-5-methylpyridine with 2,3,4,5-tetrafluorobenzoyl chloride afforded N,N’-diaroylpyridinium salts, which were converted into 6H-pyrido[1,2-a]quinazolin-6-ones by refluxing in toluene in the presence of triethylamine. The angular structure of the tricyclic derivatives obtained was confirmed by 19F and 13C NMR spectroscopy and 2D heteronuclear HetCOR and HMBC experiments

\\\\Expert2\\nbo\\Russian Chemical Bulletin\\2004, 53 (10), 2314.pdf
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16.
Инвентарный номер: нет.
   
   F 98

   
    Fused fluoroquinolones: synthesis and 1H and 19F NMR studies [Text] / V. N. Charushin, E. V. Nosova, G. N. Lipunova, M. I. Kodess // Journal of Fluorine Chemistry. - 2001. - Vol. 110, № 1. - P25-30. - Bibliogr. : p. 30 (19 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: New derivatives of fused fluoroquinolones bearing five aromatic rings have been obtained. The 19F NMR spectra of these pentacyclic fluoroquinolones demonstrate unusual through space 1H–19F and 19F–19F spin–spin interactions with coupling constants 6J(F, H)=2.0–3.0 Hz, 7J(F, F)=3.5–4.0 Hz and 9J(F, H)=3.0–3.5 Hz. Relative reactivities of fluorine atoms in pentacyclic fluoroquinolones in the amino-defluorination reactions are also different relative to bi- and tricyclic fluoroquinolones

\\\\Expert2\\nbo\\Journal of Fluorine Chemistry\\2001.v.110. p. 25.pdf
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17.
Инвентарный номер: нет.
   
   F 98

   
    Fused polycyclic nitrogen-containing heterocycles. 21. Condensation of 4-hydroxy-3,5-diphenyl-2-phenyliminothiazolidine with 5-fluoro-4-morpholino- and 4-(4-methylpiperazino)-1,2-phenylenediamines [Electronic resource] / V. A. Mamedov, N. A. Zhukova, T. N. Beschastnova, A. A. Balandina, A. T. Gubaidullin, S. K. Kotovskaya, Sh. K. Latypov, Ya. A. Levin, V. N. Charushin // Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya). - 2009. - Vol. 58, № 1. - P203-211
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: The condensation of 4-hydroxy-3,5-diphenyl-2-phenyliminothiazolidine with 5-fluoro-4-morpholino- and 5-fluoro-4-(4-methylpiperazino)-1,2-phenylenediamines leads to region-isomeric thiazolo[3,4-a]quinoxalines differing in substituents in positions 7 and 8 of the benzene ring. From the ratio of isomers formed it follows that the mesomeric effect of a fluorine atom in 1,2-phenylenediamines is comparable with the influence of an aminosubstituent

\\\\Expert2\\nbo\\Russian Chemical Bulletin\\2009, 58 (1), 203-211.pdf
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18.
Инвентарный номер: нет.
   

   
    Meso-functionalization of calix[4]arene with 1,3,7-triazapyrene in the design of novel fluorophores with the dual target detection of Al3+ and Fe3+ cations / T. D. Moseev, I. A. Lavrinchenko, M. V. Varaksin [et al.] // RSC Advances. - 2021. - Vol. 11, № 11. - P6407-6414
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: A meso-functionalization strategy has successfully been applied to the synthesis of novel 1,3,7-triazapyrene derivatives of calixarenes. The key synthetic step in these transformations providing the direct C–C bond formation is nucleophilic substitution of hydrogen (SNH) in 1,3,7-triazapyrene. General photophysical characteristics for these macrocyclic compounds, as well as features in emission properties upon addition of various metal cations have been elaborated. Studies using NMR spectroscopy have also shown a mutual effect of both calix[4]arene and 1,3,7-triazapyrene moieties on the coordination process. The complex stoichiometry and binding constants for Al3+ and Fe3+ guests have been explored with titration experiments.

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19.
Инвентарный номер: нет.
   
   N 72

   
    NMR determination of enantiomeric composition of 1-substituted 3-amino-1,2-dicarba-closo-dodecaboranes using Eu(hfc)3 [Electronic resource] / M. I. Kodess, M. A. Ezhikova, G. L. Levit, V. P. Krasnov, V. N. Charushin // Journal of Organometallic Chemistry. - 2005. - Vol. 690, № 11. - P2766-2768
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Experimental conditions for determination of enantiomeric composition of 1-substituted 3-aminocarboranes by 1H and 13C NMR spectroscopy using chiral shift reagent Eu(hfc)3 have been found.

\\\\Expert2\\nbo\\Journal of Organometallic Chemistry\\2005, v. 690, p.2766.pdf
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20.
Инвентарный номер: нет.
   
   N 89

   
    Novel 1-trifluoromethyl substituted 1,2-ethylenediamines and their use for the synthesis of fluoroquinolones [Text] / A. Y. Aizikovich, M. V. Nikonov, M. I. Kodess, V. Yu. Korotaev, V. N. Charushin, O. N. Chupakhin // Tetrahedron. - 2000. - Vol. 56, N 13. - P1923-1927
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: A common approach to the synthesis of 1-trifluoromethyl-1,2-ethylenediamines was deweloped. Based on these original building blocks the new derivatives of N-substituted fluoroquinolones bearing the trifluoromethyl group were obtined

\\\\expert2\\nbo\\Tetrahedron\\2000, v.56, p. 1923-1927, . Aizikovich.pdf
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