A highly efficient and environmentally benign method has been developed for the synthesis of 3-methyl-4-arylmethylene isoxazole-5(4H)-ones using a recyclable catalyst [Msim]Cl. Under the optimized conditions, the target compounds were obtained in excellent yields. Notably, 4-(2-naphthobenzylidene)-3-methylisoxazol-5(4H)-one (I-6) exhibited remarkable in vitro anti-bacterial and anti-cancer activities highlighting its potential as a promising lead compound for future pharmaceutical development.
The discharge of 4-nitrophenol, one of the most significant, widespread, and hazardous organic pollutants found in industrial wastewater, into clean water resources without undergoing adequate and necessary treatment/conversion processes has become a multidimensional issue that threatens all aquatic life. In this study, the reduction of 4-nitrophenol to 4-aminophenol using an efficient, environmentally friendly, and sustainable method was targeted. For this purpose, Pd/MIL68(Al) catalyst was prepared with 2% metal loading using a simple and conventional wet impregnation method. MIL68(Al), an MOF recently attracting attention due to its superior properties, was synthesised using an efficient and environmentally friendly method as support material in the first step of nanocatalyst synthesis. The prepared Pd/MIL68(Al) catalyst was tested in the reaction of the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH₄ by considering different parameters. In the study where the structure and surface morphology of the Pd/MIL68(Al) catalyst were elucidated using characterisation techniques such as ICP-OES, XRD, SEM, SEM/EDX, TEM, FTIR and XPS, it was determined that Pd(0) nanoparticles were well dispersed on the MIL68(Al) support, with an average particle size of 3.25 ± 0.22 nm. As a result of the interpretation of the data obtained from the study, the TOFinitial value for 4-NP was determined as 43.42 min−1. In the studies carried out to determine the reusability rate of Pd/MIL68(Al) nanocatalyst, it was determined that Pd/MIL68(Al) nanocatalyst exhibited excellent catalytic efficiency and stability (92%) even after five catalytic cycles. Both the simple preparation process, catalytic efficiency, and high reusability rate of the Pd/MIL68(Al) nanocatalyst are the grounds for the evaluation of Pd/MIL68(Al) nanocatalyst as an important alternative for the reduction of 4-nitrophenol and wastewater treatment.
The advancement of green and efficient synthetic strategies is essential for the pursuit of environmentally sustainable organic transformations. Xanthene derivatives, recognized for their broad pharmacological and synthetic utility, are key structural motifs in various bioactive molecules. This study reports a one-pot, three-component synthesis of xanthene derivatives catalyzed by cerium-doped, silver-coated MgO (Ce-MgO@Ag) core–shell nanoparticles under solvent-free grinding conditions at ambient room temperature. The catalyst is synthesized via a sol–gel method and comprehensively characterized using XRD, FTIR, Ads-Des, BET, BJH EDAX, FESEM, HRTEM, SAED, and XPS techniques. The model reaction employs aromatic aldehydes, dimedone. Optimization of reaction conditions yields high-purity products with excellent efficiency. The synthesized xanthenes are characterized using FTIR, 1H NMR, 13C NMR, and MS. Compared to conventional protocols, this nanocatalyst offers advantages such as high catalytic efficiency, superior yields, short reaction duration, inexpensive nature, operational simplicity, reusability, and environmental benignity. The findings underscore the potential of nanostructured catalysts in advancing green synthetic strategies.
2-Phenyl(phenylamino)methyl malononitrile (2PPAM) was successfully synthesized via a one-pot multicomponent condensation reaction of benzaldehyde, aniline, and malononitrile using zeolites omega as an efficient and environmentally benign catalyst under mild conditions, affording a high yield of 92%. The compound was characterized by IR, UV–visible, 1H NMR, 13C NMR spectroscopy, mass spectrometry, and elemental analyses. Density Functional Theory (DFT) calculations at the B3LYP/6–311 + G(2d,p) level were employed to optimize molecular geometry and investigate electronic properties. Theoretical studies included vibrational analysis, NMR, TD-DFT with IEFPCM, molecular electrostatic potential (MEP) surface mapping, electron localization function (ELF), and determination of the HOMO–LUMO energy gap which was found to be 4.91 eV, indicating moderate electronic stability. Molecular docking studies against four biological receptors (3TEM, 5V48, 7O4D, and 3NFR) revealed significant binding affinities, particularly with 7O4D, showing a binding energy of − 6.3 kcal/mol. The compound’s drug-likeness parameters were evaluated according to established pharmaceutical criteria. The results support its potential for pharmaceutical development.
Herein, we have developed a graphitic carbon nitride (g-C3N4) base catalyst via novel and environment-benign thermal method by treatment on melamine. The synthesized g-C3N4 base catalyst was characterized through various techniques including powder XRD, FTIR, TGA, SEM, EDX, UV–visible spectroscopy and BET analysis. The catalytic potency of g-C3N4 was evaluated in multicomponent reactions, particularly in Knoevenagel reactions for Pyrano [2, 3-d] pyrimidine formation. The result achieved in the current organic transformation demonstrates the high catalytic efficiency of g-C3N4 catalyst in Knoevenagel condensation. Moreover, the electron-donating and electron-withdrawing substituent effects on energy changes were investigated by quantum chemistry calculations including density functional theory (DFT studies). Additionally, DFT studies were also employed to study the optimized structure of the catalyst and derivatives, revealing key information on HOMO–LUMO energy levels, global reactivity descriptors, molecular electrostatic potential, contour analysis and DOS (Density of States) diagrams. The recyclability of g-C3N4 catalyst was analysed, confirming its sustainable use in multiple reaction cycles without significant loss of activity. These findings underline the significance of g-C3N4 as a versatile and recyclable catalyst in organic transformations, paving the way for future advancements in green and sustainable chemistry.
The pursuit of reliable, effective, and environment friendly approaches to tackle the problem of industrial-grade toxic dye contaminants of wastewater remains a considerable challenge. In this context, copper oxide nanostructure (CuO NPs) was produced through a straightforward, sustainable, and economical green approach by employing Cocos nucifera leaf extract as a reductive and protective agent along with copper sulfate as a metal salt source. The structural parameters of the prepared materials were investigated by using various spectroscopic techniques. The UV–Vis analysis of the prepared copper oxide nanostructure exhibited a surface plasmon resonance band at 252 nm. The scanning electron micrograph of the developed materials reveals that the particles are irregular in shape, with an average particle size of 60 nm. The CuO NPs demonstrated an outstanding ability to remove industrial dye, achieving 94% removal of malachite green (MG) and 70% removal of eriochrome black T (EBT) in 100 min of contact time. The CuO-based nanocatalyst exhibited recyclability for the photocatalytic removal of dye molecules and maintained its effectiveness after five repeated iterations. Due to their excellent recyclability, photocatalytic efficiency, and compatibility, the CuO NPs offer an innovative approach for the treatment of wastewater containing textile dye.
Photocatalytic membrane technology, synergizing membrane separation with photocatalysis, offers a promising approach to address challenges in advanced water treatment, including catalyst recovery and membrane fouling mitigation. In this work, an SrTiO3·Al/CoOOH photocatalyst was synthesized via a high-temperature solid-state method followed by photodeposition of CoOOH. A composite photocatalytic membrane was fabricated by immobilizing SrTiO3·Al/CoOOH onto a polysulfone (PSF)/polyvinylidene fluoride (PVDF) substrate through a phase inversion process. The material’s crystallinity, elemental composition, optical properties, and charge transfer behavior were thoroughly characterized using techniques including X-ray diffraction, scanning/transmission electron microscopy (SEM/TEM), X-ray photoelectron spectroscopy, UV–visible absorption spectroscopy (UV–Vis), Mott–Schottky (M-S) curves, photoluminescence spectroscopy, and electrochemical impedance spectroscopy. Characterization results demonstrate that Al3+ doping transforms the SrTiO3 morphology from polyhedral particles to cubic structures and induces a positive shift of 0.44 and 0.43 eV in valence band maximum and conduction band minimum, respectively. Crucially, Al3+ doping synergistically enhances photogenerated charge carrier separation on SrTiO3 when coupled with the CoOOH cocatalyst. All prepared membranes achieved a 100% rejection rate for Congo red. Notably, the water flux of the SrTiO3·Al/CoOOH-PSF/PVDF membrane is 3.7 times that of the PSF/PVDF membrane. Furthermore, after 150 min of operation, the SrTiO3·Al/CoOOH-PSF/PVDF membrane maintained 81.3% of its initial flux, compared to only 41.7% for the PSF/PVDF membrane. The optimized SrTiO3·Al/CoOOH-PSF/PVDF membrane exhibited exceptional photocatalytic performance and stability, achieving 93.6% degradation of Congo red within the first reaction cycle (150 min) and 82.7% in the fourth cycle (600 min) under simulated sunlight. Additionally, the membrane also exhibited effective degradation performance toward antibiotic pollutants. This study provides a photocatalytic membrane with promising application prospects for industrial wastewater remediation.
Herein, the study synthesized a series of reusable and efficient Benzoxazolium-based Merrifield resin Supported Ionic Liquids (MRBO-SILs) as organocatalyst by refluxing a mixture of merrifield resin (chemically inert and non-toxic) and benzoxazole. The synthesized catalyst MRBO-SILs were used for the greener synthesis of wide range of medically active 2-substituted benzothiazoles from substituted aldehydes and 2-aminothiophenol in 60% EtOH under ultrasonication. The resulting protocol is remarkably effective for synthesis because it adheres to green chemistry principles and has many more advantages than those mentioned in earlier studies. These advantages include a smooth reaction, the use of EtOH as a solvent, short reaction time (2–5 min), excellent yield (> 95%), ambient temperature (25 ℃), an easy workup procedure, catalyst recycling, and high atom economy. Furthermore, the catalyst's catalytic activity would not diminish even after eight cycles of reuse.
Alkylation between toluene and methanol is a promising route to produce para-xylene (PX). ZSM-5 zeolite commonly used as a catalyst in toluene alkylation with methanol, has been paid extensive attention. In this study, synthesis of superfine nano-ZSM-5 aggregates with fast mass transfer and controllable acid properties were realized before modification in an simple way. Firstly, nano-ZSM-5 aggregates with fast mass transfer was synthesized combined with a dual-silica source and a low-temperature crystallization method. The acid properties, such as W/S and LASs/BASs, were adjusted during low-temperature crystallization. Secondly, the mass transfer ability was further enhanced by introducing more irregular pore structures via alkali treatment method, meanwhile, the acid properties were further optimized to obtain increased W/S and LAS/BAS ratios, which had positive on the catalytic performance. After SiO2 modification, the obtained Si/AH-NTZ-130 catalyst displayed excellent performance with the PX selectivity approaching 80%. Moreover, the optimized Si/P-AH-NTZ-130 was stable for 120 h, with a PX selectivity of nearly 100%.
This paper depicts a facile, rapid, and effective approach of a nanocatalyst named 4,4′-bipyridin-1-ium hydrogen sulfate grafted on chloropropyl functionalized silica gel-nano-Fe3O4 (BPHCSF) for the synthesis of two series of tetrahydropyrimidine-5-carboxamide derivatives. These derivatives were produced via the Biginelli reaction of 3-oxo-N-(4-phenylthiazol-2-yl)-butanamide or 3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide with urea and diverse aldehydes in a green environment under optimized conditions (0.01 g of catalyst, 1 mL of EtOH, 60 °C). Compared to previous papers for the synthesis of Biginelli reaction derivatives, the current protocol shows significant improvements in terms of products yield, reaction time, catalyst recyclability, temperature, and comprehensiveness in producing a variety of products derived from aromatic, heteroaromatic, and aliphatic aldehydes. The high performance of the BPHCSF nanostructure in producing the above derivatives is probably due to its effective basic and acidic centers, which is justified through the proposed mechanism. Meanwhile, the magnetic nature of BPHCSF assisted its isolation from the reaction mixture and promoted its reproducibility up to seven times without significant reduction in its catalytic activity.
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