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Archana Sivasubramaniyan Ranganathan Raja Dinesh Murugan Arul Ponnusamy Ponnuswamy Alagusundaram Kalaiselvi Patchaiah Chellammal Subbiah Subramanian Gopalan 《Research on Chemical Intermediates》2017,43(4):2471-2490
Research on Chemical Intermediates - A library of pyrazolinyltriazole hybrids (3a–l, 4a–l) was synthesized via azide–alkyne dipolar (Huisgen) cycloaddition of azidoacetyl... 相似文献
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A green synthesis of 1,2,3-triazolyl-pyridine hybrids and evaluation of their antibacterial activity
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Murugavel Saminathan Mohan Raj Jayakumar Ravikumar Chandrasekaran Ranganathan Raja Jaabil George Ponnuswamy Alagusundaram 《Journal of heterocyclic chemistry》2021,58(3):841-863
The N-phenylbenzo[g]indazole derivatives, 3-(4-chlorophenyl)-3,3a,4,5-tetrahydro-N-phenylbenzo[g]indazole-2-carbothioamide (4CLPBIC), 3-(4-bromophenyl)-3,3a,4,5-tetrahydro-N-phenylbenzo[g]indazole-2-carbothioamide (4BRPBIC), and 3-(3-bromophenyl)-3,3a,4,5-tetrahydro-N-phenylbenzo[g]indazole-2-carbothioamide (3BRPBIC), were synthesized by the one-pot green amalgamation of solvent-free granulating methodology procedure at room temperature. The synthesized crystals were characterized by single-crystal X-ray diffraction (SC-XRD), FT-IR, FT-Raman, NMR, and UV–Vis techniques. The molecular geometries from XRD experimental values of synthesized compounds 4CLPBIC, 4BRPBIC, and 3BRPBIC in the ground state are compared theoretically by applying the density functional theory (DFT), a method with the B3LYP/6-311G(d,p) basis set using Gaussian 09 software. The vibrational assignments of the synthesized compounds were studied based on potential energy distribution (PED) by the VEDA4 program. The scaled DFT/B3LYP/6-311G(d,p) results show the best agreement with the experimental values. Computational 1H and 13C NMR were acquired by utilizing gauge-independent atomic orbital (GIAO) procedure, and chemical shift results are in good agreement with the experimental values. A web-based theoretical investigation was performed to understand the drug-likeness and ADMET properties of the compounds. Molecular docking studies were carried out against bacterial cholesterol inhibitor block and inhibitor of lanosterol-14α-demethylase CYP51 used in the treatment of topical and systemic mycoses in fungal to understand the inhibitory activity of synthesized compounds. The synthesized molecules were also tested for antibacterial and antifungal activities. 相似文献
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Murugavel Saminathan Saranya Kanagarajan Ravikumar Chandrasekaran Archana Sivasubramaniyan Ranganathan Raja Ponnusamy Alagusundaram 《中国化学会会志》2020,67(6):1100-1112
Two novel compounds 1-(5-[4-fluorophenyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-thiocyanatoethanone (FSCN) and 1-(5-[4-chlorophenyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-thiocyanatoethanone (ClSCN) were synthesized and characterized by SC-XRD, 1H NMR, 13C NMR, FTIR, and UV methods. The X-ray diffraction studies were utilized to prove the 3D crystal structures of FSCN and ClSCN. In both the compounds, the packing is mostly driven by C H⋯N, C H⋯O, and C H⋯π (benzene ring as an acceptor) interactions. In ClSCN, additionally, the π⋯π interaction is observed between the pyrazole ring of one molecule and the benzene ring of the other molecule. The experimental values were compared with the results of DFT/B3LYP/6-311G++(d,p) theoretical computations. The pharmacological screening for FSCN and ClSCN was performed using molinspiration and PreADMET web server. To analyze antibacterial inhibition of the synthesized ligands and Ciprofloxacin (control drug) were interacted with antibacterial protein Thymidylate Kinase (TMK) (PDB ID: 4QGG) with the help of AutoDock Vina tool. The ADMET and docking results of FSCN and ClSCN pointed out the better drug likeness nature and good inhibition behavior with TMK protein. The antibacterial in vitro studies suggested that FSCN compound inhibited well with antibacterial strains than that of ClSCN. The current investigation suggests that with further improvements, our compounds could be preferred as substitute medicine for bacterial diseases. 相似文献
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Archana Vellingiri Dinesh Murugan George Gnana Kumar Ponnuswamy Alagusundaram 《Journal of heterocyclic chemistry》2021,58(12):2359-2371
Highly efficient and sustainable one-pot multicomponent synthetic protocol has been accomplished for the synthesis of novel bis-N-substituted pyrazolinyl-1, 2, 3-triazole hybrids from readily available starting materials via operationally simple mechanochemical grinding approach. The present solvent-free synthetic protocol is advantageous for being atom economic involving short reaction time, ambient temperature, and non-chromatographic separation of products. 相似文献
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Alagusundaram Ponnuswamy Poovan Shanmugavelan Sangaraiah Nagarajan Murugan Sathishkumar 《Helvetica chimica acta》2012,95(6):922-928
An efficient and rapid, solvent‐free, microwave‐accelerated, one‐pot, three‐component protocol for the synthesis of spirothiazolidin‐4‐ones from organic azides is reported for the first time via Staudinger/aza‐Wittig coupling/cyclization. The solvent‐free approach overcomes the limitations associated with the prevailing solution‐phase methodologies in the case of amines. In particular, its novelty is that it eradicates the vital limitation, i.e., the accumulation of H2O (by‐product), which is known to affect the yield and rate of the reaction, thus affording the spirothiazolidin‐4‐ones in short reaction times in excellent yields. 相似文献
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The First Solvent‐Free,Microwave‐Accelerated,Three‐Component Synthesis of Thiazolidin‐4‐ones via One‐Pot Tandem Staudinger/aza‐Wittig Reaction
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Poovan Shanmugavelan Murugan Sathishkumar Sangaraiah Nagarajan Raja Ranganathan Alagusundaram Ponnuswamy 《Journal of heterocyclic chemistry》2014,51(4):1004-1011
An efficient and rapid, solvent‐free, microwave‐accelerated, one‐pot, three‐component protocol for thiazolidin‐4‐ones synthesis from organic azides has been reported for the first time via Staudinger/aza‐Wittig reaction. The microwave‐accelerated, solvent‐free approach overcomes the limitations associated with the prevailing solution phase methodologies. In particular, its novelty is that it eradicates the vital limitation, that is, accumulation of water (byproduct) that is known to affect the yield and rate of the reaction. Thus, a library of thiazolidin‐4‐ones has been synthesized in short time in excellent yields (92–96%). 相似文献
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Poovan Shanmugavelan Murugan Sathishkumar Sangaraiah Nagarajan Alagusundaram Ponnuswamy 《中国化学快报》2014,25(1):146-148
An efficient and facile synthesis of a library of hitherto novel 1,2,3-triazolyl-N-acetyl/N-propionylpyrazoline hybrids(16 examples) in excellent yields(90%–96%) has been accomplished from easily accessible 1,2,3-triazolyl chalcone precursors. 相似文献
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An eco-friendly water mediated synthesis of 1,2,3-triazolyl-2- aminopyrimidine hybrids as highly potent anti-bacterial agents 总被引:1,自引:1,他引:0
Sangaraiah Nagarajan Poovan Shanmugavelan Murugan Sathishkumar Ramasamy Selvi Alagusundaram Ponnuswamy Hariharan Harikrishnan Vellasamy Shanmugaiah 《中国化学快报》2014,25(3):419-422
An elegant and efficient synthesis of novel 1,2,3-triazole fused 2-aminopyrimidine hybrids has been accomplished for the first time in the green solvent viz. water. The hybrid molecules exhibit significant anti-bacterial activity when screened against three human pathogens viz. Staphylococcus aureus, Pseudomonas aeruginosa and Klebsiella pneumoniae. In comparison to the commercially marketed drug tetracycline, some of them are equally potent and a few are more potent. 相似文献