scholarly journals 4-[(3,4-Dimethoxybenzylidene)amino]-5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Molbank ◽  
10.3390/m1055 ◽  
2019 ◽  
Vol 2019 (1) ◽  
pp. M1055
Author(s):  
Soukhyarani Nayak ◽  
Boja Poojary
Keyword(s):  
Mass Spectrometry ◽  
Inhibitory Action ◽  
Noncovalent Interactions ◽  
Catalytic Amount ◽  
13C Nmr Spectroscopy ◽  
Target Compound ◽  
Solid Product ◽  
1H And 13C Nmr ◽  
Elemental Analyses ◽  
Ft Ir

4-Amino-5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (1) upon treatment with 3,4-dimethoxybenzaldehyde in 10 mL of absolute ethanol in the presence of a catalytic amount of acetic acid produced the target compound 4-[(3,4-dimethoxybenzylidene)amino]-5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (2) in 80% yield. The obtained solid product was recrystallized from ethanol. The compound was characterized by elemental analyses, mass spectrometry, FT-IR, 1H and 13C-NMR spectroscopy. To study the binding interactions of the compound with receptor, it was docked with the human prostaglandin reductase (PTGR2). The docking pose and noncovalent interactions gave insights into its plausible inhibitory action.

scholarly journals N-[2-(1H-Indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide

Molbank ◽  
10.3390/m1008 ◽  
2018 ◽  
Vol 2018 (3) ◽  
pp. M1008
Author(s):  
Nikil Purushotham ◽  
Boja Poojary
Keyword(s):  
Mass Spectrometry ◽  
Mycobacterium Tuberculosis ◽  
Potassium Hydroxide ◽  
Inhibitory Action ◽  
13C Nmr Spectroscopy ◽  
Enoyl Reductase ◽  
1H And 13C Nmr ◽  
Ft Ir ◽  
Non Covalent Interactions ◽  
Covalent Interactions

N-[1-Hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylbenzenesulfonamide (1) on cyclization with carbon disulfide in ethanolic potassium hydroxide affords N-[2-(1H-indol-3-yl)-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide (2) in 84% yield. The structure of compound 2 was supported by mass spectrometry, FT-IR and 1H- and 13C-NMR spectroscopy. To investigate the potential of compound 2 to act as antitubercular agent, it was docked against the enoyl reductase (InhA) enzyme of Mycobacterium tuberculosis. The docking pose and non-covalent interactions gave insights on its plausible inhibitory action.

scholarly journals (2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol

Molbank ◽  
10.3390/m1140 ◽  
2020 ◽  
Vol 2020 (2) ◽  
pp. M1140
Author(s):  
Jack Bennett ◽  
Paul Murphy
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
13C Nmr ◽  
Conjugate Addition ◽  
13C Nmr Spectroscopy ◽  
One Pot ◽  
1H And 13C Nmr ◽  
Esi Mass Spectrometry ◽  
The One

(2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol was isolated in 18% after treating the glucose derived (5R,6S,7R)-5,6,7-tris[(triethylsilyl)oxy]nona-1,8-dien-4-one with (1S)-(+)-10-camphorsulfonic acid (CSA). The one-pot formation of the title compound involved triethylsilyl (TES) removal, alkene isomerization, intramolecular conjugate addition and ketal formation. The compound was characterized by 1H and 13C NMR spectroscopy, ESI mass spectrometry and IR spectroscopy. NMR spectroscopy was used to establish the product structure, including the conformation of its tetrahydropyran ring.

Antimicrobial Properties of Mono- and Di-fac-rhenium Tricarbonyl 2-Pyridyl-1,2,3-triazole Complexes

2016 ◽  
Vol 69 (5) ◽  
pp. 489 ◽  
Author(s):  
Sreedhar V. Kumar ◽  
Warrick K. C. Lo ◽  
Heather J. L. Brooks ◽  
Lyall R. Hanton ◽  
James D. Crowley
Keyword(s):  
Staphylococcus Aureus ◽  
Antimicrobial Properties ◽  
13C Nmr Spectroscopy ◽  
1H And 13C Nmr ◽  
X Ray Crystallography ◽  
The Family ◽  
Elemental Analyses ◽  
Solid State Structures ◽  
Rhenium Tricarbonyl

A family of mono- and di-fac-rhenium tricarbonyl 2-pyridyl-1,2,3-triazole complexes with different aliphatic and aromatic substituents was synthesized in good-to-excellent yields (46–99 %). The complexes were characterized by 1H and 13C NMR spectroscopy, infrared spectroscopy, electronic (UV-visible) spectroscopy, high-resolution electrospray mass spectrometry, and elemental analyses. In four examples, the solid-state structures of the rhenium(i) complexes were confirmed by X-ray crystallography. The family of the mono- and di-rhenium(i) complexes and the corresponding 2-pyridyl-1,2,3-triazole was tested for antimicrobial activity in vitro against both Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) microorganisms. Agar-based disk diffusion assays indicated that most of the rhenium(i) complexes were active against Staphylococcus aureus and that the cationic rhenium(i) complexes were more active than the related neutral systems. However, in all cases, the minimum inhibitory concentrations for all the complexes were modest (i.e. 16–1024 µg mL–1).

scholarly journals (E)-N′-(4-Fluorobenzylidene)-5-methyl-2-(pyridin-3-yl)thiazole-4-carbohydrazide

Molbank ◽  
10.3390/m1058 ◽  
2019 ◽  
Vol 2019 (2) ◽  
pp. M1058
Author(s):  
Vinuta Kamat ◽  
Rangappa Santosh ◽  
Suresh Nayak
Keyword(s):  
Escherichia Coli ◽  
Double Helix ◽  
Catalytic Amount ◽  
Target Compound ◽  
Addition Compound ◽  
E Coli ◽  
In Vitro Antibacterial Activity ◽  
Ft Ir ◽  
Dna Double Helix

5-methyl-2-(pyridin-3-yl)-1,3-thiazole-4-carbohydrazide (1) on treatment with 4-fluorobenzaldehyde in presence of catalytic amount of acetic acid, accessed the target compound (2) with the yield of 79%. The target compound was confirmed by 1H-NMR, 13C-NMR, FT-IR and LCMS. In vitro antibacterial activity against Staphylococcus aureus (S. Aureus), Bacillus subtilis (B. subtilis), Escherichia coli (E. coli), and Pseudomonas aeruginosa (P. aeruginosa) were carried out and compound 2 showed promising activity against B. subtilis. In addition, compound 2 was analyzed for DNA binding study. It revealed that compound 2 has a promising affinity towards DNA double helix.

scholarly journals Synthesis, characterization and spectroscopic properties of some 2-substituted 1,3-indandiones and their metal complexes

2009 ◽  
Vol 7 (3) ◽  
pp. 429-438 ◽  
Author(s):  
Anife Ahmedova ◽  
Vasil Atanasov ◽  
Petja Marinova ◽  
Neyko Stoyanov ◽  
Mariana Mitewa
Keyword(s):  
Metal Complexes ◽  
Optical Sensors ◽  
Metal Ion ◽  
Spectroscopic Properties ◽  
Mass Spectral Fragmentation ◽  
Enolic Form ◽  
1H And 13C Nmr ◽  
Mass Spectral ◽  
Elemental Analyses ◽  
Ft Ir

AbstractNew 2-acyl-1,3-indandione derivatives, compounds 1–4, were obtained by condensation of 2-acetyl-1,3-indandione with benzaldehyde, thiophene-2-aldehyde, thiophene-3-aldehyde and furane-2-aldehyde, respectively. The structures of the newly synthesized 2-substituted 1,3-indandiones were characterized by means of spectroscopic methods (FT-IR, 1H and 13C NMR, UV-Vis and MS). Based on the obtained results it is suggested that the compounds exist in the exocyclic enolic form. Mass spectral fragmentation paths are also proposed. In order to verify the possibility for tautomerization processes of the newly synthesized compounds their absorption spectra were recorded in various solvents. Furthermore, the complexation properties of the compounds with metal(II) ions were also studied. A series of non-charged complexes with Cu(II), Cd(II), Zn(II), Co(II) and Ni(II) was isolated and analyzed by elemental analyses and IR. The paramagnetic Cu(II) complexes were studied by EPR and distorted, flattened tetrahedral structures are predicted. The other metal complexes show the presence of water molecules, most probably coordinated to the metal ion, thus forming octahedral geometry. Ultimately, the studied properties of the newly synthesized compounds, 1–4, suggest that they may find application as extracting agents for metal ions, rather than as optical sensors.

scholarly journals Tethering (Arene)Ru(II) Acylpyrazolones Decorated with Long Aliphatic Chains to Polystyrene Surfaces Provides Potent Antibacterial Plastics

Materials ◽  
2020 ◽  
Vol 13 (3) ◽  
pp. 526 ◽  
Author(s):  
Corrado Di Nicola ◽  
Fabio Marchetti ◽  
Riccardo Pettinari ◽  
Alessia Tombesi ◽  
Claudio Pettinari ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Self Assembly ◽  
Simple Procedure ◽  
13C Nmr Spectroscopy ◽  
Aliphatic Chain ◽  
1H And 13C Nmr ◽  
E Coli ◽  
Micellar Aggregates ◽  
Elemental Analyses ◽  
And Staphylococcus Aureus

The acylpyrazolone proligands HQR (HQR in general, in detail: HQCy = 1-phenyl-3-methyl-4-carbonylcyclohexyl-5-pyrazolone, 4-C(O)-phenyl, HQPh = 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone, HQC17 = 1-phenyl-3-methyl-4-stearoyl-5-pyrazolone, HQC17,Ph = 1-phenyl-3-stearyl-4-benzoyl-5-pyrazolone) were synthesized and reacted with (arene)Ru(II) acceptors affording complexes [(arene)Ru(QR)Cl] (arene = cymene (cym) or hexamethylbenzene (hmb)). The complexes were characterized by elemental analyses, thermogravimetric analysis-Differntial Thermal Analysis (TGA-DTA), IR spectroscopy, ESI-MS and 1H, and 13C NMR spectroscopy. Complexes [(arene)Ru(QR)Cl] where QR = QC17 and QC17,Ph, due to the long aliphatic chain in the ligand, afford nanometric dispersions in methanol via self-assembly into micellar aggregates of dimensions 50–200 nm. The antibacterial activity of the complexes was established against Escherichia coli and Staphylococcus aureus, those containing the ligands with a long aliphatic chain being the most effective. The complexes were immobilized on polystyrene by a simple procedure, and the resulting composite materials showed to be very effective against E. coli and S. aureus.

scholarly journals Synthesis, Thermal and Optical Characterizations of New Lateral Organic Systems

Crystals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 551
Author(s):  
Laila Ahmed. Al-Mutabagani ◽  
Latifah A. Alshabanah ◽  
Sobhi M. Gomha ◽  
Hoda A. Ahmed
Keyword(s):  
Methoxy Group ◽  
13C Nmr Spectroscopy ◽  
Molecular Structures ◽  
Phenyl Ester ◽  
Scanning Calorimetry ◽  
1H And 13C Nmr ◽  
Polarized Optical Microscopy ◽  
Organic Systems ◽  
Temperature Ranges ◽  
Ft Ir

New laterally OCH3-substituted optical organic Schiff base/ester series, namely 4-(4-(hexyloxyphenyl)iminomethyl)-3-methoxyphenyl 4-alkoxybenzoates, were prepared and characterized with different thermal, mesomorphic, and photoactive techniques. The prepared group constitutes five homologues that differ from each other in the number of carbons in the terminal alkoxy chain (n), which varies between n = 6, 8, 10, 12, and 16 carbons. The laterally protruded methoxy group is attached to the central benzene ring that makes an angle of 120° with the molecular long axis. Molecular structures of all newly prepared homologues were fully elucidated via FT-IR, 1H and 13C NMR spectroscopy. Mesomorphic transitions were determined via differential scanning calorimetry (DSC) and the phases identified by polarized optical microscopy (POM). Independent of the length of the terminal alkoxy chain attached to phenyl ester ring, only a monomorphic nematic (N) phase was observed for all the synthesized compounds. A comparative study was made between the present lateral methoxy-substituted homologues and their corresponding laterally-neat analogues. The results revealed that, depending on the length of the alkoxy chain and the presence or absence of the lateral methoxy group, different mesophases with different thermal stability and temperature ranges were observed. Finally, UV-vis spectra showed that the present nematogenic series possess photoactive properties that are of importance for many applications.

scholarly journals FACILE SYNTHESIS OF PHENOLIC DERIVATIVES, CONTAINIG LACTAMOMETHYL SUBSTITUENTS

2019 ◽  
Vol 62 (10) ◽  
pp. 40-48
Author(s):  
Stepan V. Vorobyev ◽  
Olga V. Primerova ◽  
Ludmila V. Ivanova ◽  
Vladimir D. Ryabov ◽  
Vladimir N. Koshelev
Keyword(s):  
13C Nmr Spectroscopy ◽  
Hydroxyl Group ◽  
1H And 13C Nmr ◽  
Mineral Oils ◽  
Ft Ir ◽  
Low Toxicity ◽  
Phenolic Derivatives ◽  
Intramolecular Hydrogen ◽  
Derivatives Of ◽  
Low Solubility

In this work we suggest the new method for the synthesis of novel phenolic derivatives, containing lactamomethyl substituents. Oxidation processes of fuels and mineral oils lead to losing of their properties, so the search for new and effective inhibitors of these processes is very actuel. We suggest a facile system for lactamomethylation reaction. Heating in the water some of phenols (resorcinol, phloroglucinol, methylphloroglucinol, pyrogallol, salicylic, resorcilic and gallic acids) with N-hydroxymethyl derivatives of pyrrolidone, valerolactam, caprolactam and 4-phenylpyrrolidone in the presence of catalytic amounts of acetic acid led to the target compounds with nearly quantitative yields. Time of the reaction ranged 1.5-2 h. As the products have low solubility in water, in contrast with the reagents, filtration was used for their extraction. The advantages of this method are also that it is eco-friendly because of small amounts of wastes and low toxicity of the reagents and solvent, and cheapness of starting compounds. Eighteen novel compounds were obtained. The composition of target substances was determined by elemental analysis whereas the structures of the synthesized compounds were confirmed by FT-IR spectroscopy methods, 1H- and 13C-NMR spectroscopy. In IR spectra there are carbonyl group stretching vibrations peaks in lower frequencies (about 1600 cm-1) than expected due to the formation of inter- and intramolecular hydrogen bonds between this group and phenolic hydroxyl group.

Multicomponent Reactions of Indoles with 1-Amino-5-aroyl-4-aryl-1H-Pyrimidin-2-ones / -thiones: One-pot three component synthesis of novel Gramine Analogues

2020 ◽  
Vol 17 ◽  
Author(s):  
Hava Aydın ◽  
Elif Korkusuz ◽  
İsmail Yıldırım
Keyword(s):  
Aromatic Aldehyde ◽  
13C Nmr ◽  
Multicomponent Reactions ◽  
Green Method ◽  
One Pot ◽  
1H And 13C Nmr ◽  
Spectroscopic Measurements ◽  
Catalyst Free ◽  
Elemental Analyses ◽  
Ft Ir

: A one-pot three component synthesis of a series of new gramine derivatives was designed and achieved via reactions of indole or N-methylindole with aromatic aldehyde and heteroaryl amines at 80-110 oC for 10-24 hours in an oven under solvent- and catalyst-free conditions provides an efficient, convenient and green method for the syntheses of a series of indol-3-yl- and N-methylindol-3-yl-1-aminopyrimidin-2-ones/thiones. So, fourteen novel gramine derivatives were conveniently synthesized, and characterized by elemental analyses, FT IR, 1H and 13C NMR spectroscopic measurements.

3-Amino-2-methylquinazolin-4-(3H)-one Schiff Bases Synthesis – a Green Chemistry Approach – a Comparison of Microwave and Ultrasound Promoted Synthesis with Mechanosynthesis.

2020 ◽  
Vol 07 ◽  
Author(s):  
Mario Komar ◽  
Fran Prašnikar ◽  
Tatjana Gazivoda Kraljević ◽  
Krunoslav Aladić ◽  
Maja Molnar
Keyword(s):  
Mass Spectrometry ◽  
Green Chemistry ◽  
Schiff Bases ◽  
13C Nmr Spectroscopy ◽  
Synthetic Methods ◽  
Reaction Conditions ◽  
1H And 13C Nmr ◽  
Microwave Assisted ◽  
Ultrasound Assisted ◽  
High Yields

: A green chemistry methods are important modern pathways in synthetic chemistry with main advantages such as milder reaction conditions, shorter time and higher yields. A series of quinazolinone based Schiff bases (1−27) have been successfully synthesized by using green synthetic methods including microwave-assisted, ultrasound-assisted and mechanochemical synthesis, respectively. Desired compounds were prepared from 3-amino-2-methylquinazolin-4(3H)- one and substituted benzaldehydes with moderate to high yields (11−90%). Benzoxazinone and 3-amino-2- methylquinazolin-4(3H)-one, the precursors of Schiff bases, were prepared by microwave induced synthesis. The structures of all Schiff bases are confirmed by 1H and 13C NMR spectroscopy and mass spectrometry as well. A novelty of this research is the application and comparison of green chemistry methods in the synthesis of desired compounds are listed above. The simplicity of synthesis includes ethanol as solvent and no need for further purification.

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