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Quinoline and isoquinoline moieties occur in many natural and synthetic compounds exhibiting high biological activity. The purpose of this study was to analyze the chemical structures of 5,8-quinolinedione and 5,8-isoquinoline derivatives using FT-IR spectroscopy supplemented with theoretical DFT calculations. Spectroscopic measurements were conducted using the attenuated total reflection (ATR) mode in the frequency range of 4000–400 cm−1. An analysis of FT-IR spectra was carried out, assigning the characteristic vibration frequencies of various functional groups to individual peaks. It was found that the experimental and calculated FT-IR spectra showed a good correlation for all the compounds under study. The most significant difference in the spectra occurred in the region of carbonyl bands. For compounds with the 5,8-quinolinedione moiety, two separated C=O vibration peaks were observed, while for compounds with the 5,8-isoquinolinedione moiety, the carbonyl vibrations created only one peak. This difference makes it possible to distinguish between the 5,8-quinolinedione and 5,8-isoquinolinedione derivatives. [ABSTRACT FROM AUTHOR]

A one-pot multicomponent reaction has been used to synthesize the title compound, ethyl 4-[5-(methoxymethyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate by PTSA catalyzed Biginelli reaction. The chemical structure of the product was confirmed by spectroscopic evidence, FTIR, HRESI-MS, 1D-, and 2D NMR. [ABSTRACT FROM AUTHOR]

We report a novel protocol for the synthesis of 3-(3,4-dihydroxyphenyl)-8-hydroxy-2H-chromen-2-one via demethylation/delactonization/elimination/lactonization/ decarboxylation domino reaction sequence of diastereomeric mixture of cis- and trans-3-(2,3-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisochroman-4-carboxylic acids in boiling HBr/AcOH. The structure of the target compound was established for the first time by means of spectral methods such as 1H-, 13C-, DEPT-135-NMR, IR and HRMS. [ABSTRACT FROM AUTHOR]

The title compound was prepared by a Friedel-Crafts acylation-oxime synthesis-decarboxylation/dehydration sequence starting from commercially available 7-iodoindole with 2-(7-iodo-1H-indol-3-yl)-2-oxoacetic acid as isolated intermediate. The structural identity of the title compound was proven by elemental analysis and spectroscopic methods (IR, NMR, EI-MS), and purity was assessed by two independent HPLC methods. [ABSTRACT FROM AUTHOR]

In four synthetic steps we successfully prepared a red-shifted heptamethine cyanine dye (max = 825 nm in methanol) that could be very useful for biochemists and bioanalytical chemists for probing lipophilic environments, including the hydrophobic pockets of enzymes. The heptamethine dye structure was characterized by various spectroscopic techniques including ¹H-NMR, 13C-NMR and high-resolution accurate mass spectroscopy (HRMS). We have also shown the hydrophobicity spectrally by varying methanol/water ratios and observing corresponding absorbance and fluorescence spectral changes. [ABSTRACT FROM AUTHOR]

The title compound was obtained by the reaction of tosylated glycerol carbonate with 1-phenyl-1H-pyrazol-3-ol in a good 71% yield. Detailed spectroscopic data (1H-NMR, 13C-NMR, 15N-NMR, IR, MS) are presented. [ABSTRACT FROM AUTHOR]

The article offers information on several chemistry based studies and their findings. A study focuses on decomposition of original dye one in the presence of bases and analyses by thin layer chromatography. Several graphs are also presented demonstrating the excitation-emission spectrum of a modified dye and comparative ultraviolet- visible spectrum analysis of the original dye one and the modified dye three. Carbon and Hydrogen nuclear magnetic resonance of both dyes are also presented.

Novel (E)-ethyl 3-(dimethylamino)-2-(7,9-diphenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acrylate (3A), was prepared via condensation of ethyl (1,3-diphenyl-1H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetate (1) and dimethylformamide-dimethylacetal under reflux. The structure of the synthesized compound was assigned on the basis of elemental analysis, IR, ¹H NMR and mass spectral data. [ABSTRACT FROM AUTHOR]

We report herein the synthesis of 1,1,2,2-tetrakis[(benzoylamino)methyl]-hydrazine from (benzamidomethyl)triethylammonium chloride and hydrazine monohydrate in the presence of triethylamine in ethanol/aqueous media. The structure of the newly synthesized compound was characterized on the basis of ¹H-NMR, 13C-NMR, IR and mass spectral data. [ABSTRACT FROM AUTHOR]

The copper complex of 5,10,15,20-Tetra(N-ethyl-3-carbazolyl) porphyrin was synthesized and characterized by electronic absorption spectrophotometry and cyclic voltammetry. The spectral data were in agreement with the proposed structure. The copper complex exhibited a shift in the Soret band in comparison to the non-metallated porphyrin and the extinction coefficient for the Soret band was on the order of 105 cm-1M-1. Trends observed in the oxidation and reduction potentials were consistent with the nature of the porphyrin. That is, the electron donating group in 5,10,15,20-tetra(N-ethyl-3-carbazolyl) porphyrin enhances oxidation and inhibits reduction. [ABSTRACT FROM AUTHOR]

7-Phenyl-3,4,8,9-tetrahydro-2H-pyridazino[1,6-a][1,3,5]triazin-2-imine was synthesized by a sequence of reactions starting from 6-phenyl-4,5-dihydropyridazin-3(2H)-one 1. The structure of the title compound 3 was established on the basis of IR, ¹H-NMR, 13C-NMR and mass spectral data. [ABSTRACT FROM AUTHOR]

A novel pyrazoline derivative 2 was synthesized by reaction of an α,β-unsaturated ketone 1 with isonicotinic acid hydrazide (INH) in glacial acetic acid. The structure of the title compound 2 was established on basis of IR, ¹H-NMR, 13C-NMR and mass spectral data. [ABSTRACT FROM AUTHOR]

The title compound was prepared by treatment of 5-fluoro-1-phenylchromeno [2,3-c]pyrazol-4(1H)-one with aqueous dimethylamine. Detailed spectroscopic data (1H NMR, 13C NMR, 15N NMR, IR, MS) are presented. [ABSTRACT FROM AUTHOR]

A practical synthesis of N-cyclohexyl-11-(octylthio)undecanamide by thiol-ene click coupling reaction under UV light irradiation is reported. The title compound was characterized by elemental analysis, FT-IR, ¹H NMR, 13C NMR and MS spectroscopic methods. This molecule was found to be an efficient gelator for fluid oils, and the main physical parameters of the formed gels were also examined. [ABSTRACT FROM AUTHOR]

Trans-dichloro-2,3-naphthalenediamine bis[(2-methoxyethyl)(diphenyl)phos-phine]ruthenium(II) complex Cl2Ru(η¹-Ph2PCH2CH2OCH3)2(C10H10N2) has been obtained by reaction of equimolar amounts of Cl2Ru(P∩O)2 complex 2 with one equivalent of 2,3-naphthalenediamine as co-ligand in very good yield. The structure of this new complex 3 was confirmed by elemental analysis, IR, 31P-NMR ¹H-NMR, 13C-NMR, UV-visible spectroscopy and FAB-MS. [ABSTRACT FROM AUTHOR]

This present work aims at synthesizing a novel tetrazole from quinazolinone. 3-(4-Aminophenyl)-2-methyl-3H-quinazolin-4-one is converted into a nitrile by reacting it with acrylonitrile and triton B. The nitrile on treatment with NaN3, NH4Cl and DMF yielded the corresponding tetrazole. The tetrazole obtained was characterized by IR, ¹H NMR, EI-MS and elemental analysis. The compound was screened for antimicrobial activity against Staphylococcus aureus, Escherichia coli, Candida albicans and Aspergillus niger.The results of the study show that the compound possesses fairly good antimicrobial activity against the test organisms. [ABSTRACT FROM AUTHOR]

Manganese complex of 5,10,15,20-tetra(N-ethyl-3-carbazolyl) porphyrin was synthesized and characterized by electronic absorption spectrophotometry and cyclic voltammetry. The spectral data were in agreement with the proposed structure. The manganese complex exhibited a shift in the Soret band in comparison to the non-metallated porphyrin and the extinction coefficient for the Soret band was on the order of 105 cm-1M-1. Trends observed in the oxidation and reduction potentials were consistent with the nature of the porphyrin. That is, the electron donating group in 5,10,15,20-tetra(N-ethyl-3-carbazolyl) porphyrin enhances oxidation and inhibits reduction. [ABSTRACT FROM AUTHOR]

A new flavonoid glycoside (1) has been isolated from the aerial parts of Salix denticulata (Salicaceae) together with five known compounds, β-sitosterol, 2,6-dihydroxy- 4-methoxy acetophenone, eugenol-1-O-β-D-glucopyranoside, 1-O-β-D-(3′-benzoyl) salicyl alcohol and luteolin-7-O-β-D-glucopyranosyl-(1-6)-glucopyranoside. The structure of 1 was elucidated as 2′,5-dihydroxy-3′-methoxyflavone-7-O-β-D-glucopyranoside by means of chemical and spectral data including 2D NMR studies. [ABSTRACT FROM AUTHOR]

1-(8-Chloro-3-methyl-1H-pyrazolo[4,3-c]cinnolin-1-yl)-2-(2-chlorophenyl)ethanone 2 has been synthesized through condensation of 3-acetyl-6-chloro-1H-cinnolin-4-one 1 with 2-(2-chlorophenyl)acetohydrazide in polar aprotic solvent containing catalytic amount of conc. HCl. The structure of the title compound 2 was established on the basis of IR, ¹H-NMR, 13C-NMR and mass spectral data. [ABSTRACT FROM AUTHOR]

Novel ethyl (1,3-diphenyl-1H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5- yl)acetate (5), was prepared via heating of 5-amino-1,3-diphenyl-4,5-dihydro-4-imino-1Hpyrazolo[ 3,4-d] pyrimidine (1) and diethyl malonate (2) under reflux. The structure of the synthesized compound was assigned on the basis of its elemental analysis, IR, ¹H-NMR and mass spectral data. [ABSTRACT FROM AUTHOR]

Methylparabene (2) was simply benzamidomethylated with (benzamidomethyl)- triethylammonium chloride (1) in aqueous medium to afford methyl 4-(benzamidomethoxy) benzoate (3) in high yield. The title compound was characterized by elemental analysis, FT-IR, ¹H-NMR and 13C-NMR spectroscopy. [ABSTRACT FROM AUTHOR]

The title compound 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-indane-1,3-dione (3) was synthesized in high yield by reaction of 3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde and indane-1,3-dione in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, ¹H NMR, 13C NMR and GC-MS spectral analysis. [ABSTRACT FROM AUTHOR]

In this short note, we report the synthesis of 6-methyl-2-nitro-1-phenyl-hept-4- en-3-ol by a LiAlH4 catalyzed nitroaldol reaction for carbon-carbon bond formation. The title compound was characterized by ¹H-NMR, 13C-NMR, MS, IR and elemental analysis. [ABSTRACT FROM AUTHOR]

The title compound, (2E)-1-(2,5-dimethyl-3-thienyl)3-(4-nitrophenyl)propenone (3) was synthesized in high yield by reaction of 3-acetyl-2,5-dimethythiophene and 4-nitrobenzaldehyde in the presence of sodium hydroxide. The structure of the compound was fully characterized by IR, ¹H NMR, 13C NMR, GC-MS spectral analysis and elemental analysis. [ABSTRACT FROM AUTHOR]

A bis-chalcone has been synthesized by reaction of 3-acetyl-2,5-dimethylfuran and terephthalaldehyde in ethanolic NaOH at room temperature: (2E,2′E)-3,3′-(1,4- phenylene)bis(1-(2,5-dimethylfuran-3-yl)prop-2-en-1-one) (3) was obtained in high yield. The structure of this compound was established by elemental analysis, IR, ¹H NMR, 13C NMR and EI-MS spectral analysis. [ABSTRACT FROM AUTHOR]

A new compound, 4,6-diamino-5-(3,4-dichlorobenzylidene)pyrimidin-2(5H)-one, was synthesized and its IR, ¹H NMR,13C NMR, MS spectroscopic data and elemental analysis are presented. [ABSTRACT FROM AUTHOR]

The title compound, 1-(2,5-dimethyl-3-thienyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one (3) was synthesized in high yield by an aldol condensation reaction of 3-acetyl-2,5-dimethythiophene and 2,4,5-trimethoxybenzaldehyde in methanolic NaOH at room temperature. Its structure was fully characterized by elemental analysis, IR, ¹H NMR, 13C NMR and EI-MS spectral data. [ABSTRACT FROM AUTHOR]

The title compound, [dicyclohexyl(sulfanylidene)-λ5-phosphanyl]methanol, Cy2P(=S)CH2OH (1), was obtained from the reaction between [Cy2P(CH2OH)2]Cl with one molar equivalent of NaOH and an excess of elemental sulfur (powdered). Characterization was by a single-crystal X-ray structure determination as well as IR, and 1D-NMR (1H, 13C{1H}, 31P{1H}), and 2D-NMR (DEPT-135 and HSQC) spectroscopy, ESI mass spectrometry, and elemental analysis. X-ray crystallography on Compound 1 shows the phosphorus atom to be tetrahedrally coordinated within a non-symmetric C3S donor set but with relatively minor distortions from the ideal geometry. In the molecular packing, hydroxyl-O–H⋯S(thione) hydrogen bonds led to supramolecular helical chains along the b-axis direction. [ABSTRACT FROM AUTHOR]

The title compound, 4-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione (1), was synthesized by a hetero-cyclization reaction of 4-chlorophenyl isothiocyanate and formic hydrazide. Compound 1 was characterized by a single-crystal X-ray structure determination as well as 1H and 13C{1H} NMR, IR, and UV spectroscopy, and microelemental analysis. X-ray crystallography on 1 confirms the molecule exists as the thione tautomer and shows the five-membered ring to be planar and to form a dihedral angle of 82.70(5)° with the appended chlorophenyl ring, indicating an almost orthogonal relationship. In the molecular packing, supramolecular dimers are formed via thioamide-N–H⋯S(thione) hydrogen bonds and these are connected by C=S⋯π(triazolyl) and C-Cl⋯π(triazolyl) interactions, leading to a three-dimensional architecture. [ABSTRACT FROM AUTHOR]