A5035966782- Synthesis and biological activity
- Nonlinear Optical Materials Research
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Metal complexes synthesis and properties
- Synthesis and Characterization of Heterocyclic Compounds
- Chemical synthesis and pharmacological studies
- Multicomponent Synthesis of Heterocycles
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Phenothiazines and Benzothiazines Synthesis and Activities
- Quinazolinone synthesis and applications
- Free Radicals and Antioxidants
- Crystal structures of chemical compounds
- Tuberculosis Research and Epidemiology
- Synthesis of heterocyclic compounds
- Inorganic and Organometallic Chemistry
- Luminescence and Fluorescent Materials
- Synthesis of Organic Compounds
- Energetic Materials and Combustion
- HIV/AIDS drug development and treatment
- Organic Chemistry Cycloaddition Reactions
- Synthesis and Properties of Aromatic Compounds
- Venomous Animal Envenomation and Studies
- Photochromic and Fluorescence Chemistry
- Lipid Membrane Structure and Behavior
Kakatiya University
2016-2024
A new ligand, 2‐aminonicotinaldehyde N ‐methyl thiosemicarbazone (ANMTSC) and its metal complexes [Co(II) ( 1 ); Ni(II) 2 Cu(II) 3 Zn(II) 4 Cd(II) 5 ) or Hg(II) 6 )] were synthesized. The compounds characterized by analytical methods various spectroscopic (infrared, magnetic, thermal, H, 13 C NMR, electronic ESR) tools. structure of ANMTSC ligand was confirmed single crystal X‐ray diffraction study. spectral data indicate that the acts as mononegative, bidentate coordination through imine...
The Fourier Transform Infrared (FTIR) and FT-Raman spectra of 4-methyl-3-nitrobenzoic acid have been recorded in the range 4000 - 400 cm-1 3500 50 cm-1, respectively. optimized geometry molecule, its vibrational frequencies along with corresponding intensities computed using Density Functional Theory (DFT) employing B3LYP/6-311++G basis set. scaled values harmonic obtained computations compared their experimental counter parts. scaling factors refined to reproduce an RMS error 11.68 between...
Abstract In the present study, we have attempted to identify Sacubitril derivatives as lead compounds for dormant tuberculosis. A total of twenty‐one belongs a series 5(a – u) were synthesized using ( 2R , 4S )‐5‐([1,1′‐biphenyl]‐4‐yl)‐4‐(amino)‐2‐methylpentanoic acid ethyl ester hydrochloride with different isocyanates and isothiocyanates. All structures determined by 1 H & 13 C NMR spectroscopy, mass spectrometry, CHN analysis. Compound, 5 r structure confirmed single‐crystal X‐ray...
Two mononuclear ruthenium complexes ( 1 and 2 ) with aroyl/acylthiourea as an ancillary ligand of type, [(η 6 ‐ p ‐cymene)RuCl(L‐ N,S )], where [ L1 = 2,4‐dichloro‐ N ‐( o ‐tolylcarbamothioyl)benzamide] L2 ‐(phenylcarbamothioyl)cyclohexanecarboxamide] were synthesized well characterized. The single crystal X‐ray diffraction studies revealed the coordination mode geometry complexes. two adopted general piano‐stool (three‐legged) a novel through amide (anionic) thiocarbonyl S (neutral). This...
A series of 30 novel diamino phenyl chloropicolinate fettered carboxamides, urea, and thiourea derivatives were synthesized by coupling methyl 4-amino-6-(2-aminophenyl)-3-chloropyridine-2-carboxylate with different acid chlorides, moieties, respectively. All these compounds characterized 1H 13C nuclear magnetic resonance spectroscopy, CHN analysis, high-resolution mass spectra for confirmation the structures. Two also single-crystal X-ray diffraction analysis to confirm structures obtained...
Nine new ( E )‐(3‐(substituted‐styryl)‐7 H ‐furo[2,3‐ f ]chromen‐2‐yl)(phenyl)methanone derivatives, 7 a – i ), with an efficient microwave‐assisted synthetic method was achieved by reacting )‐3‐(aryl)‐1‐(5‐hydroxy‐2 ‐chromen‐6‐yl)prop‐2‐en‐1‐ones and 2‐bromo‐1‐(4‐bromophenyl)ethanone. The microwave irradiation found to be best high yields shorter reaction times compared the conventional method. All products structural assignments were confirmed spectral data like FTIR, 1 NMR, 13 C ESI MS,...
FT-IR and FT-Raman spectra of 2,2′-bipyridine-3,3′-dicarboxylic acid (B3DA), 2,2′-bipyridine-4,4′-dicarboxylic (B4DA) 2,2′-bipyridine-5,5′-dicarboxylic (B5DA) were recorded analysed. The quantum chemical calculations the title compounds begin with barrier potentials at different rotation angles around C–C′ C–Cα bonds in order to arrive conformation lowest energy using DFT employing B3LYP functional 6-311++G(d,p) basis set. This confirmation was further optimised get global minimum geometry....
In this work, the FT-Raman and FTIR spectra of synthesized molecules, 2-amino-3-pyridine carboxaldehyde (APC) Cu(II) complex (Cu(II)APC) were characterized by using density functional theory (DFT). The optimized structural parameters such as harmonic vibrational frequencies, general valence force field, infrared Raman intensities, frontier molecular orbital parameters, NLO properties, NBO MESP calculated B3LYP with 6-311++G(d,p) basis set. Employing MOLVIB 7.0 program, scaling process was...
The Fourier Transform Infrared (FTIR) and FT-Raman spectra of 3-methyl-4- nitrobenzoic acid have been recorded in the range 4000-400 cm-1 3500-50 cm-1, respectively. optimized geometry molecule, its vibrational frequencies computed using Density Functional Theory (DFT) employing B3LYP/6-311++G basis set. scaled values harmonic so obtained compared with their experimental counter parts. scaling factors refined to reproduce an RMS error 9.26 between frequencies. theoretically predicted FTIR...
Abstract A couple of series heterocyclic‐based urea and thiourea derivatives, connected with a hybrid scaffold skeleton containing pyrazole piperazine ring moieties, were achieved. In this study, total fifteen new compounds synthesized by reacting 1‐(3‐methyl‐1‐phenyl‐1H‐pyrazol‐5‐yl)piperazine hydrochloride carbamides thiocarbamides. All the newly compound structures confirmed 1 H & 13 C NMR FTIR spectroscopy, ESI mass spectrometry, CHNS analysis HPLC chromotograms. Moreover, N...
This study was aimed to synthesize and characterize a series of novel bis(thiourea) compounds (1–3) featuring ortho phenylenediamine substitutions assess their potential biological properties. A range analytical spectroscopic techniques, including elemental analyses, UV–visible, FT-IR, NMR, mass, were employed confirm successful compound synthesis. Single-crystal X-ray diffraction utilized validate crystal structures. Density functional theory calculations conducted compare optimized...
Background: Heterocyclic compounds containing heteroatoms (O, N and S) as part of five or six-membered cyclic moieties exhibited various potential applications, such pharmaceutical drugs, agrochemical products organic materials. Among many known heterocyclic moieties, quinoline its derivatives are one the privileged scaffolds found in natural products. In general, could be prepared by utilizing ortho-substituted anilines carbonyl a reactive α-methylene group well-known reaction routes like...
We identified twenty-two new sacubitril derivatives (5a–v) as lead compounds for various biologically active targets.
Abstract A series of fifteen novel amide derivatives based on imidazo[1,2‐b]pyridazine scaffold were synthesized by taking imidazo[1,2‐b]pyridazine‐3‐carboxylic acid intermediates with respective substituted amines to yield good excellent. The molecular structures the newly compounds elucidated using spectroscopic techniques ( 1 H NMR, 13 C and LCMS) supported single‐crystal X‐ray diffraction (SXRD) for two compounds, 9 18 . These evaluated in vitro antimicrobial activity against...