scholarly journals 3-(4-Bromophenyl)-4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](m-tolyl)methyl}isoxazol-5(2H)-one

Molbank ◽  
10.3390/m1135 ◽  
2020 ◽  
Vol 2020 (2) ◽  
pp. M1135
Author(s):  
Yuliya E. Ryzhkova ◽  
Fedor V. Ryzhkov ◽  
Michail N. Elinson
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Infrared Spectroscopy ◽  
Magnetic Resonance ◽  
Elemental Analysis ◽  
Good Yield ◽  
Biomedical Applications ◽  
Kojic Acid ◽  
Inflammatory Diseases ◽  
Docking Studies ◽  
X Ray

In this communication, the electrochemically induced multicomponent transformation of 3-methylbenzaldehyde, 3-(4-bromophenyl)isoxazol-5(4H)-one and kojic acid in n-PrOH in an undivided cell in the presence of sodium bromide was carefully investigated to give 3-(4-bromophenyl)-4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](m-tolyl)methyl}isoxa- zol-5(2H)-one in good yield. The structure of the new compound was established by means of elemental analysis, mass-, nuclear magnetic resonance and infrared spectroscopy. Furthermore, its structure was determined and confirmed by X-ray analysis. The synthesized compound is a promising compound for different biomedical applications, and, in particular, for the regulation of inflammatory diseases, as shown by docking studies in this research.

Tautomerism of bis(2-benzothiazolyl)methanes

1988 ◽  
Vol 66 (6) ◽  
pp. 1467-1473 ◽  
Author(s):  
Carmen Avendaño ◽  
María Teresa Ramos ◽  
José Elguero ◽  
María Luisa Jimeno ◽  
Juana Bellanato ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Infrared Spectroscopy ◽  
Magnetic Resonance ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Methyl Derivative ◽  
Model Compounds ◽  
X Ray ◽  
Nuclear Magnetic

Tautomerism of dibenzothiazolylmethane (1) and its C-methyl derivative (2) has been studied by 1H nuclear magnetic resonance, ultraviolet, and infrared spectroscopy using C,C-dimethyl (3) and N-methyl (4) derivatives as model compounds of the "CH" and "NH" forms, respectively. X-ray diffraction analysis of the "fixed" N-methyl derivative 4 shows that it corresponds to the Z-sE isomer 4b2. The CH tautomers are unstable in solution and they slowly isomerize into a mixture of NH tautomers that depends on the solvent and on the C-substituent (H or CH3).

scholarly journals Syntheses and crystal structures of three bis(triorganotin) benzenedicarboxylates

2018 ◽  
Vol 41 (5-6) ◽  
pp. 155-160
Author(s):  
Jin Liu ◽  
Min Liu ◽  
Shiqing Wang ◽  
Yuxiao Li ◽  
Mingzhu Liu ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Magnetic Resonance ◽  
Single Crystal Diffraction ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Benzenedicarboxylic Acid ◽  
Tin Complexes ◽  
Ft Ir

Abstract Three bis(triorganotin) benzenedicarboxylates, 1,n-C6H4(COOSnR3)2 (n, R=3, C6H5C(CH3)2CH2, 1; 4, C6H5C(CH3)2CH2, 2; 4, C6H11-c, 3), were synthesized by the reaction of 1,3 or 1,4-benzenedicarboxylic acid with triorganotin chlorides in the solution of CH3ONa-CH3OH and characterized by means of elemental analysis, Fourier-transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) (1H, 13C, and 119Sn) spectra, and X-ray single-crystal diffraction. Compounds 1–3 are all di-nuclear tin complexes in which the carboxylate is monodentate and each tin atom possesses a distorted SnC3O tetrahedral geometry.

scholarly journals Synthesis and Crystal Structure of A Pyrithione Derivative: Bis{2-[(1-oxidopyridin-2-yl)sulfanyl]-4,5-dihydro-1H-imidazol-3-ium} tetrachlorocuprate(2-)

Molbank ◽  
10.3390/m1067 ◽  
2019 ◽  
Vol 2019 (2) ◽  
pp. M1067
Author(s):  
Łukasz Balewski ◽  
Franciszek Sączewski ◽  
Maria Gdaniec
Keyword(s):  
Crystal Structure ◽  
Infrared Spectroscopy ◽  
Elemental Analysis ◽  
Good Yield ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Chloride Dihydrate ◽  
X Ray Crystallography

The pyrithione derivative, bis{2-[(1-oxidopyridin-2-yl)sulfanyl]-4,5-dihydro-1H-imidazol-3-ium} tetrachlorocuprate(2-) (1a) has been obtained by the reaction of one equivalent of 2-[(4,5-dihydro-1H-imidazol-2-yl)thio]pyridine 1-oxide hydrochloride with one and a half equivalents of copper (II) chloride dihydrate in methanol in a very good yield. The structure of this product was confirmed by X-ray crystallography, infrared spectroscopy, and elemental analysis.

scholarly journals Alcohol Oxidation Assisted by Molybdenum Hydrazonato Catalysts Employing Hydroperoxide Oxidants

Catalysts ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 881
Author(s):  
Josipa Mihalinec ◽  
Matea Pajski ◽  
Pascal Guillo ◽  
Mirna Mandarić ◽  
Nikol Bebić ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Infrared Spectroscopy ◽  
Thermogravimetric Analysis ◽  
Magnetic Resonance ◽  
Alcohol Oxidation ◽  
Polynuclear Complexes ◽  
Oxidation Reactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mononuclear Complexes

Molybdenum(VI) catalysts were obtained from methanol or acetonitrile by the reaction of [MoO2(C5H7O2)2] and isonicotinoyl- or nicotinoyl-based aroylhydrazones. Reactions in methanol resulted in the formation of the mononuclear complexes [MoO2(L1–4)(MeOH)] (1a–4a), while the ones in acetonitrile provided polynuclear complexes [MoO2(L1–4)]n (1–4). Crystals of polynuclear compound, [MoO2(L3)]n∙H2O (3∙H2O), suitable for X-ray diffraction analysis were obtained by the solvothermal procedure at 110 °C. Complexes were characterized by infrared spectroscopy (IR-ATR), nuclear magnetic resonance (NMR), elemental analysis (EA), and thermogravimetric analysis (TGA). The prepared catalysts were tested in alcohol oxidation reactions. Carveol, cyclohexanol, and butan-2-ol were investigated substrates. Because the alcohol oxidations are very challenging due to various possible pathways, the idea was to test different oxidants, H2O2, TBHP in water and decane, to optimize the researched catalytic system.

scholarly journals 1,3-Dimethyl-3′,5-diphenyl-1,5-dihydro-2H,5′H-spiro[furo[2,3-d]pyrimidine-6,4′-isoxazole]-2,4,5′(3H)-trione

Molbank ◽  
10.3390/m1317 ◽  
2022 ◽  
Vol 2022 (1) ◽  
pp. M1317
Author(s):  
Yuliya E. Ryzhkova ◽  
Varvara M. Kalashnikova ◽  
Fedor V. Ryzhkov ◽  
Michail N. Elinson
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Infrared Spectroscopy ◽  
Magnetic Resonance ◽  
Elemental Analysis ◽  
Sodium Acetate ◽  
Room Temperature ◽  
Halogen Atom ◽  
Ring Closure ◽  
Leaving Group ◽  
Intramolecular Ring

Michael addition–halogenation–intramolecular ring-closing (MHIRC) reactions are processes in which a halogen atom as a leaving group can attach to substrates or reactants during the reaction, which then undergoes intramolecular ring closure. In this communication the MHIRC transformation of 4-benzylidene-3-phenylisoxazol-5(4H)-one and 1,3-dimethylbarbituric acid in the presence of N-bromosuccinimide and sodium acetate in EtOH at room temperature was carefully investigated to give novel 1,3-dimethyl-3′,5-diphenyl-1,5-dihydro-2H,5′H-spiro[furo[2,3-d]pyrimi- dine-6,4′-isoxazole]-2,4,5′(3H)-trione in a good yield. The structure of the new compound was confirmed by the results of elemental analysis as well as mass, nuclear magnetic resonance, and infrared spectroscopy.

Synthesis, X-ray Characterization and Antimicrobial Activity of (3-(4-bromophenyl)oxiran-2-yl)(2,4-dichlorophenyl)methanone

2018 ◽  
Vol 15 (2) ◽  
pp. 521-524
Author(s):  
Mona A. Alsafi ◽  
Eman M. Flefel ◽  
Nermeen S. Abbas ◽  
Abd El-Galil E. Amr ◽  
Hazem A. Ghabbour
Keyword(s):  
Hydrogen Peroxide ◽  
Nuclear Magnetic Resonance ◽  
Antimicrobial Activity ◽  
Magnetic Resonance ◽  
Mass Spectroscopy ◽  
Elemental Analysis ◽  
Fusidic Acid ◽  
X Ray ◽  
H Nmr ◽  
C Nmr

(3-(4-bromophenyl)oxiran-2-yl)(2,4-dichlorophenyl)methanone 2 was synthesized via treating of 3-(4-bromophenyl)-1-(2,4-dichlorophenyl) prop-2-en-1-one 1 with hydrogen peroxide in the presence of sodium hydroxide in a mixture from acetone and methanol with stirring. The structure and purity of the synthesized product was confirmed by elemental analysis, IR, nuclear magnetic resonance (1H NMR and 13C NMR), mass spectroscopy and X-ray single crystal. The obtained compound 2 was screened as antimicrobial activity compared to Streptomycin and Fusidic acid as reference drugs.

Sign in / Sign up

Export Citation Format

Share Document