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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.
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    1H NMR evidence for 5(4H)-oxazolones formation and racemization [Text] : доклад, тезисы доклада / O. N. Chupakhin, V. P. Krasnov, A. M. Demin, G. L. Levit, M. I. Kodess // XXth European Colloquium on Heterocyclic Chemistry, Stockholm,Sweden, 18-21 Aug. 2002 г. - Stockholm, 2002. - C:2
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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3.
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    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.
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   A 10


   
    A simple synthesis of the pentacyclic lamellarin skeleton from 3-nitro-2-(trifluoromethyl)-2H-chromenes and 1-methyl(benzyl)-3,4-dihydroisoquinolines / V. Yu. Korotaev, V. Ya. Sosnovskikh, A. Yu. Barkov, P. A. Slepukhin, M. A. Ezhikova, M. I. Kodess, Yu. V. Shklyaev // Tetrahedron. - 2011. - Vol. 67, № 45. - С. 8685-8698
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
LAMELLARIN ALKALOIDS -- ISOQUINOLINE DERIVATIVES -- HETEROCYCLIC SYSTEM
Аннотация: The basic structural framework of lamellarin alkaloids, 8,9-dihydro-6H-chromeno[4?,3?:4,5]pyrrolo[2,1-a]isoquinoline derivatives, has been obtained in good yields via Grob synthesis between 3-nitro-2-(trifluoromethyl)-2H-chromenes and 1-methyl-3,4-dihydroisoquinolines in refluxing isobutanol. In the case of 1-benzyl-3,4-dihydroisoquinolines, a dynamic NMR effect was observed in the 1H and 19F NMR spectra of the products as a result of restricted rotation about the single bond linking the benzene ring and the heterocyclic system. When the reaction was carried out with 3-nitro-2-(trichloromethyl)-2H-chromenes in toluene at room temperature, only Michael adducts, as a mixture of two diastereomers, were isolated.??????--------------------------------------------------------------------------------??

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5.
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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6.
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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7.
Инвентарный номер: нет.
   
   A 89


   
    Asymmetrical oxidation of menthone dithiolane [Electronic resource] / A. V. Timshina, S. A. Rubtsova, M. I. Kodess, E. G. Matochkina, P. A. Slepukhin, A. V. Kuchin // Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii). - 2008. - Vol. 44, № 7. - P1043-1048
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Asymmetrical oxidation was performed of menthone dithiolane obtained in 95–98% yield by condensation of menthone with 1,2-ethanedithiol in the presence of boron trifluoride etherate. 6-Isopropyl-9-methyl-1,4-dithiaspiro[4,5]decane-1,4-dioxide (yield 5–55%) and 6-isopropyl-9-methyl-1,4-dithiaspiro[4,5]-decane-1,1,4-trioxide (yield 65–70%) were synthesized. Chemical structures of compounds obtained were proved by XRD analysis, NMR and IR spectroscopy

\\\\Expert2\\nbo\\Russian Journal of Organic Chemistry\\2008, 44 (7), 1043.pdf
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8.
Инвентарный номер: нет.
   
   A 90


   
    Atropoisomerism of 13-N,N-dimethylamide-15,17-dimethyl ester of chlorin e6 from the data of X-ray, 1H NMR, and HPLC [Electronic resource] / D. V. Belykh, E. V. Buravlev, P. A. Slepukhin, A. V. Kuchin // Russian Journal of General Chemistry. - 2010. - Vol. 80, № 11. - P2382-2386. - Bibliogr. : p. 2386 (9 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Atropoisomerism of tertiary 13-amides of chlorin e 6 was studied by the methods of X-ray analysis, 1H NMR spectroscopy, and high performance liquid chromatography on the example of 13-N,N-dimethylamide-15,17-dimethyl ester of chlorin e 6. The spatial structure of the major and minor atropoisomers was established. The possibility of reversible interconversion of the atropoisomers of the studied compound in solution was shown

\\\\Expert2\\nbo\\Russian Journal of General Chemistry\\2010, V. 80, N 11, p.2382-2386.pdf
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9.
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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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10.
Инвентарный номер: нет.
   
   C 21


   
    Carboxyalkylation of chitosan in the gel state / Yu. A. Skorik, A. V. Pestov, M. I. Kodess, Yu. G. Yatluk // Carbohydrate Polymers. - 2012. - Vol. 90, № 2. - С. 1176-1181
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
CHITOSAN -- CHEMICAL MODIFICATION -- GEL TECHNIQUE
Аннотация: This study presents a new approach for direct carboxyalkylation of chitosan in the gel state by using aza-Michael addition and substitution reactions. Various reagents were applied including acrylic and crotonic acids, and alpha-, beta-, gamma-, delta-, and epsilon-halocarboxylic acids. The reaction of chitosan with gamma- and delta-halocarboxylic acids showed no target product formation either in solution or in the gel state. In the case of acrylic, crotonic, alpha- and beta-halocarboxylic acids, the reaction performed in the gel state (concentration of chitosan 20-40%) shows higher degree of substitution at lower reaction time and temperature than in diluted solutions (concentration of chitosan 0.5-2%). The results were discussed in terms of kinetics of the target and side reactions. H-1 and C-13 NMR confirmed that in all cases the carboxyalkylation of chitosan proceeds exclusively at the amino groups

\\\\Expert2\\nbo\\Carbohydrate Polymers\\2012, v. 90, p.1176.pdf
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11.
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    Chitosan cross-linking with acetaldehyde acetals / A. Pestov, Y. Privar, A. Slobodyuk [et al.] // Biomimetics. - 2022. - Vol. 7, № 1. - Ст. 10
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
CHITOSAN -- ACETALDEHYDE ACETALS -- HYDROGEL
Аннотация: Here we demonstrate the possibility of using acyclic diethylacetal of acetaldehyde (ADA) with low cytotoxicity for the fabrication of hydrogels via Schiff bases formation between chitosan and acetaldehyde generated in situ from acetals in chitosan acetate solution. This approach is more convenient than a direct reaction between chitosan and acetaldehyde due to the better commercial availability and higher boiling point of the acetals. Rheological data confirmed the formation of intermolecular bonds in chitosan solution after the addition of acetaldehyde diethyl acetal at an equimolar NH2: acetal ratio. The chemical structure of the reaction products was determined using elemental analysis and 13C NMR and FT-IR spectroscopy. The formed chitosan-acetylimine underwent further irreversible redox transformations yielding a mechanically stable hydrogel insoluble in a broad pH range. The reported reaction is an example of when an inappropriate selection of acid type for chitosan dissolution prevents hydrogel formation.

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12.
Инвентарный номер: нет.
   


   
    Combined approach to conformational analysis of 4-hydroxyproline containing podands using NMR and molecular dynamics simulation / G. Makarov, O. Borodina, A. E. Masunov [et al.] // AIP conference proceedings. - 2022. - Vol. 2390. - Ст. 020045
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
METADYNAMICS -- POLYMERS -- AMINO ACID
Аннотация: Conformational analysis of (2S,4R)-4-hydroxyproline-containing podand based on bias-exchange well-tempered metadynamics computation was performed, and the most representative conformers were selected from generated manifold of conformations by two approaches: by direct clustering by GROMOS algorithm and by partitioning conformations according to torsion angles of polyether chain and free energies of conformers.

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13.
Инвентарный номер: нет.
   
   C 74


   
    Composition, structure, and properties of pharmacologically active silicon dimethylglycerolates [Electronic resource] / T. G. Khonina, E. Yu. Larchenko, E. V. Shadrina, I. N. Ganebnuikh, A. A. Boyko, E. G. Matochkina, M. I. Kodess, O. N. Chupakhin // Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya). - 2010. - Vol. 59, № 12. - P2230-2235. - Bibliogr. : p. 2235 (13 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: 1H and 29Si NMR spectroscopy showed that the product of the reaction of dimethyldiethoxysilane with glycerol in the molar ratio 1: 2 is an equilibrium mixture of dimethyldiglyceroxysilane and low-molecular-weight condensation products. The change of viscosity of silicon dimethylglycerolates, synthesized using different excesses of glycerol, versus time was studied by viscosimetry. Composition of products of hydrolysis and condensation of silicon dimethylglycerolates is determined by their concentration in the starting aqueous solutions

\\\\Expert2\\nbo\\Russian Chemical Bulletin\\2010, 59 (12), 2230-2235.pdf
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14.
Инвентарный номер: нет.
   
   C 91


   
    Crystal structure of N-(3-hydroxypropyl)-beta-alanine and Bis(N-(3-hydroxypropyl)-beta-alaninato)dicopper(II) [Cu2 (Pro-ala)2] [Electronic resource] / A. V. Pestov, P. A. Slepukhin, L. S. Molochnikov, M. A. Ezhikova, M. I. Kodess, Yu. G. Yatluk // Russian Journal of Inorganic Chemistry (Zhurnal Neorganicheskoi Khimii). - 2010. - Vol. 55, № 2. - P201-208
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: N-(3-Hydroxypropyl)-beta-alanine was synthesized by the reacti on of 3-aminopropanol with acrylic acid. From this ligand and basic copper carbonate, bis(N-(3-hydroxypropyl)-beta-alaninato)dicopper(II) [Cu2 (C6H11NO3)2] was obtained. The structures of the chelating agent and the copper complex were studied by X-ray diffraction. The Cu(II) coordination polyhedron is a distorted square pyramid. Each ligand forms six-membered ?-alaninate and propanolamine chelate rings. The propoxy group functions as a bridge. In the crystal structure, the molecules form intermolecular coordination bonds C=OCu, which are perpendicular to the layers. The EPR signal typical of dimeric copper complexes is not observed due to low occupancy of the excited paramagnetic triplet state. The weak paramagnetic signal from monomeric copper complex allowed recording of the 1H NMR spectrum of [Cu2 (Pro-ala) 2] with characteristic line broadening and contact shift. It follows from the obtained data that on dissolution, the complex dissociates by 40% to give monomeric copper complexes

\\\\Expert2\\nbo\\Russian Journal of Inorganic Chemistry\\2010, v. 55, N 2, с.201.pdf
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15.
Инвентарный номер: нет.
   
   C 91


   
    Crystal structure, spectral and thermal properties of 1,2-bis[2-(4,4,4-trifluoro-1-hydroxy-3-oxobut-1-enyl)phenoxy]-ethane and luminescent properties of its complexes with Al(III) and Eu(III) [Electronic resource] / L. A. Khamidullina, K. L. Obydennov, P. A. Slepukhin, I. S. Puzyrev // Journal of Molecular Structure. - 2016. - Vol. 1125. - С. 550-557
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
LANTHANIDE COMPLEXES -- ENOL-TAUTOMERISM -- BETA-DIKETONES
Аннотация: Describing the crystal structure, packing, FT-IR, UV-Vis and NMR spectra and thermal properties of new polydentate O-ligand based on aryl-beta-diketone moieties connected by ethylene glycol spacer is the subject of this article. The results of IR, UV-Vis and H-1 NMR spectroscopy as well X-ray crystallography of 1,2-bis[2-(4,4,4-trifluoro-1-hydroxy-3-oxobut-1-enyl)phenoxy]-ethane (BTFPE) indicate that the compound exists in solution and in solid as enol. The crystal structure analysis shows that BTFPE has C2/c group of the monoclinic system. Typical S(6) intramolecular hydrogen bond occurs in each 1,3-diketo moiety. This bond is asymmetric and the H atom is closest to the 0 atom adjacent to the phenyl ring. The packing of the crystal is sustained by numerous C-H center dot center dot center dot O, O-H center dot center dot center dot F, C-H center dot center dot center dot F interactions. In the crystal, supramolecular zig-zag chains are formed along the c-axis. Short contacts interconnect the molecules into a two-dimensional layered structure wherein each molecule is node between chains. According to the thermal investigation this compound is stable up to 200 degrees C in air atmosphere, above this temperature it decomposes. Photoluminescent properties of aluminum(III) and europium(III) complexes of BTFPE were evaluated in chloroform solution and in the solid state. Aluminum complex of BTFPE shows blue luminescence with maximum at 445 nm. Europium complex exhibits intense red color luminescence at 613 nm from central Eu(III) ion through the excitation of the ligand.

\\\\expert2\\NBO\\Journal of Molecular Structure\\2016, v.1125, p.550-557.pdf
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16.
Инвентарный номер: нет.
   
   C 98


   
    Cyclopropanation of 2-arylmethylidenemalononitriles, alkyl 3-aryl-2-cyanoprop-2-enoates, and N-substituted 3-aryl-2-cyanoprop-2-enamides with bromine-containing zinc enolates [Electronic resource] / V. V. Shchepin, Yu. G. Stepanyan, P. S. Silaichev, M. A. Ezhikova, M. I. Kodess // Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii). - 2007. - Vol. 43, № 7. - P1002-1007
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Zinc enolates derived from 2,2-dibromoindan-1-one and 2,2-dibromo-1,2,3,4-tetrahydronaphthalen-1-one reacted with 2-arylmethylidenemalononitriles, alkyl 3-aryl-2-cyanoprop-2-enoates, and N-substituted 3-aryl-2-cyanoprop-2-enamides to give, respectively, 3-aryl-1?-oxo-1?,3?-dihydrospiro[cyclopropane-1,2?-indene]-2-2-dicarbonitriles, 3-aryl-1?-oxo-3?,4?-dihydro-1?H-spiro[cyclopropane-1,2?-naphthalene]-2,2-dicarbonitriles, alkyl 3-aryl-2-cyano-1?-oxo-1?,3?-dihydrospiro[cyclopropane-1,2?-indene]-2-carboxylates, alkyl 3-aryl-2-cyano-1?-oxo-3?,4?-dihydro-1?H-spiro[cyclopropane-1,2?-naphthalene]-2-carboxylates, and N-substituted 3-aryl-2-cyanol-1?-oxo-3?,4?-dihydro-1?H-spiro[cyclopropane-1,2?-naphthalene]-2-carboxamides as a single diastereoisomer. The stereoconfiguration of the products was determined by 1H and 13C NMR spectroscopy

\\\\Expert2\\nbo\\Russian Journal of Organic Chemistry\\2007, 43 (7), 1002.pdf
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17.
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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18.
Инвентарный номер: нет.
   
   D 98


   
    Dynamic kinetic resolution via 5(4H)-oxazolone formation [Text] : доклад, тезисы доклада / O. N. Chupakhin, V. P. Krasnov, N. Z. Solieva, E. A. Zhdanova, I. M. Bukrina, L. Sh. Sadretdinova, G. L. Levit, M. I. Kodess // XXth European Colloquium on Heterocyclic Chemistry, Stockholm,Sweden, 18-21 Aug. 2002 г. - Stockholm, 2002. - C:3
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ

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19.
Инвентарный номер: нет.
   
   F 33


   
    Features of synthesis and structure of ethyl (2Z)-3-hydroxy-(2,3,4,5-tetrafluorophenyl)-propyl-2-enoate / D. N. Bazhin, E. V. Shchegol'kov, Yu. S. Kudyakova, K. V. Scherbakov, Ya. V. Burgart, V. I. Saloutin // Russian Journal of General Chemistry. - 2012. - Vol. 82, № 1. - С. 116-121. - Bibliogr. : p. 121 (22 ref.)
ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ANTIBACTERIAL AGENTS -- DERIVATIVES -- OFLOXACIN -- ESTERS
Аннотация: The structure of key intermediates in the synthesis of fluoroquinolone antibiotics: diethyl (2,3,4,5-tetrafluorobenzoyl)malonate and ethyl (2Z)-3-hydroxy-(2,3,4,5-tetrafluorophenyl)prop-2-enoate was for first time studied using X-ray diffraction (XRD) and H-1, F-19 NMR spectroscopy. In solution both the esters were shown to exist as a mixture of enol and ketone tautomeric forms with predominance of the latter. According to the XRD analysis, ethyl (2Z)-3-hydroxy-(2,3,4,5-tetrafluorophenyl)prop-2-enoate in the solid state exists entirely in the enol form

\\\\Expert2\\nbo\\Russian Journal of General Chemistry\\2012, V. 82, N 8, p. 1444–1450.pdf
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20.
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

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