scholarly journals The Catalytic Activity of Carbon-Supported Cu(I)-Phosphine Complexes for the Microwave-Assisted Synthesis of 1,2,3-Triazoles

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 185
Author(s):  
Ivy L. Librando ◽  
Abdallah G. Mahmoud ◽  
Sónia A. C. Carabineiro ◽  
M. Fátima C. Guedes da Silva ◽  
Carlos F. G. C. Geraldes ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Cycloaddition Reaction ◽  
Benzyl Bromide ◽  
Phosphine Ligands ◽  
Catalyst Loading ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted ◽  
Phosphine Complexes ◽  
Multi Walled Carbon Nanotubes

A set of Cu(I) complexes with 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo-[3.3.1]nonane (DAPTA) phosphine ligands viz. [CuX(κP-DAPTA)3] (1: X = Br; 2: X = I) and [Cu(μ-X)(κP-DAPTA)2]2 (3: X = Br; 4: X = I) were immobilized on activated carbon (AC) and multi-walled carbon nanotubes (CNT), as well as on these materials after surface functionalization. The immobilized copper(I) complexes have shown favorable catalytic activity for the one-pot, microwave-assisted synthesis of 1,2,3-triazoles via the azide-alkyne cycloaddition reaction (CuAAC). The heterogenized systems with a copper loading of only 1.5–1.6% (w/w relative to carbon), established quantitative conversions after 15 min, at 80 °C, using 0.5 mol% of catalyst loading (relative to benzyl bromide). The most efficient supports concerning heterogenization were CNT treated with nitric acid and NaOH, and involving complexes 2 and 4 (in the same order, 2_CNT-ox-Na and 4_CNT-ox-Na). The immobilized catalysts can be recovered and recycled by simple workup and reused up to four consecutive cycles although with loss of activity.

scholarly journals Design, Microwave-Assisted Synthesis and In Silico Prediction Study of Novel Isoxazole Linked Pyranopyrimidinone Conjugates as New Targets for Searching Potential Anti-SARS-CoV-2 Agents

Molecules ◽  
2021 ◽  
Vol 26 (20) ◽  
pp. 6103
Author(s):  
Faisal K. Algethami ◽  
Maher Cherif ◽  
Salma Jlizi ◽  
Naoufel Ben Ben Hamadi ◽  
Anis Romdhane ◽  
...  
Keyword(s):  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
Microwave Assisted Synthesis ◽  
Dimroth Rearrangement ◽  
One Pot ◽  
Microwave Assisted ◽  
Three Component Reaction ◽  
Key Steps ◽  
Modes Of Interaction ◽  
Native Ligand

A series of novel naphthopyrano[2,3-d]pyrimidin-11(12H)-one containing isoxazole nucleus 4 was synthesized under microwave irradiation and classical conditions in moderate to excellent yields upon 1,3-dipolar cycloaddition reaction using various arylnitrile oxides under copper(I) catalyst. A one-pot, three-component reaction, N-propargylation and Dimroth rearrangement were used as the key steps for the preparation of the dipolarophiles3. The structures of the synthesized compounds were established by 1H NMR, 13C NMR and HRMS-ES means. The present study aims to also predict the theoretical assembly of the COVID-19 protease (SARS-CoV-2 Mpro) and to discover in advance whether this protein can be targeted by the compounds 4a–1 and thus be synthesized. The docking scores of these compounds were compared to those of the co-crystallized native ligand inhibitor (N3) which was used as a reference standard. The results showed that all the synthesized compounds (4a–l) gave interesting binding scores compared to those of N3 inhibitor. It was found that compounds 4a, 4e and 4i achieved greatly similar binding scores and modes of interaction than N3, indicating promising affinity towards SARS-CoV-2 Mpro. On the other hand, the derivatives 4k, 4h and 4j showed binding energy scores (−8.9, −8.5 and −8.4 kcal/mol, respectively) higher than the Mpro N3 inhibitor (−7.0 kcal/mol), revealing, in their turn, a strong interaction with the target protease, although their interactions were not entirely comparable to that of the reference N3.

scholarly journals One-Pot Microwave-Assisted Synthesis of Water-Soluble Pyran-2,4,5-triol Glucose Amine Schiff Base Derivative: XRD/HSA Interactions, Crystal Structure, Spectral, Thermal and a DFT/TD-DFT

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 117
Author(s):  
Yousef Hijji ◽  
Rajeesha Rajan ◽  
Hamdi Ben Yahia ◽  
Said Mansour ◽  
Abdelkader Zarrouk ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Orbital ◽  
Density Functional ◽  
Condensation Reaction ◽  
3D Structure ◽  
Water Soluble ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted ◽  
Td Dft

The(3R,4R,6R)-3-(((E)-2-hydroxybenzylidene)amino)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol water-soluble Glucose amine Schiff base (GASB-1) product was made available by condensation of 2-hydroxybenzaldehyde with (3R,6R)-3-amino-6-(hydroxymethyl)-tetra-hydro-2H-pyran-2,4,5-triol under mono-mode microwave heating. A one-pot 5-minute microwave-assisted reaction was required to complete the condensation reaction with 90% yield and without having byproducts. The 3D structure of GASB-1 was solved from single crystal X-ray diffraction data and computed by DFT/6-311G(d,p). The Hirshfeld surface analysis (HSA), molecular electronic potential (MEP), Mulliken atomic charge (MAC), and natural population analysis (NPA) were performed. The IR and UV-Vis spectra were matched to their density functional theory (DFT) relatives and the thermal behavior was resolved in an open-room condition via thermogravimetry/Derivative thermogravimetry (TG/DTG) and differential scanning calorimetry (DSC). The highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO), density of state (DOS), and time-dependence TD-DFT computations were correlated to the experimental electron transfer in water and acrylonitrile solvents.

Microwave-assisted synthesis of 1-aryl-1H-indazoles via one-pot two-step Cu-catalyzed intramolecular N-arylation of arylhydrazones

2005 ◽  
Vol 46 (44) ◽  
pp. 7553-7557 ◽  
Author(s):  
Chittari Pabba ◽  
Hong-Jun Wang ◽  
Susan R. Mulligan ◽  
Zhen-Jia Chen ◽  
Todd M. Stark ◽  
...  
Keyword(s):  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted

Highly dispersed and disordered nickel–iron layered hydroxides and sulphides: robust and high-activity water oxidation catalysts

2018 ◽  
Vol 2 (7) ◽  
pp. 1561-1573 ◽  
Author(s):  
Manjunath Chatti ◽  
Alexey M. Glushenkov ◽  
Thomas Gengenbach ◽  
Gregory P. Knowles ◽  
Tiago C. Mendes ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Low Temperature ◽  
High Activity ◽  
Water Oxidation ◽  
Microwave Assisted Synthesis ◽  
Oxidation Catalysts ◽  
Alkaline Water ◽  
Nickel Iron ◽  
Microwave Assisted ◽  
Highly Dispersed

A rapid low-temperature microwave-assisted synthesis of nickel(iron) layered hydroxides and sulphides that exhibit robust catalytic activity for electrooxidation of alkaline water is introduced.

Facile one-pot microwave-assisted synthesis of tungsten-doped BiVO4/WO3 heterojunctions with enhanced photocatalytic activity

2020 ◽  
Vol 125 ◽  
pp. 110783 ◽  
Author(s):  
Caroline H. Claudino ◽  
Maria Kuznetsova ◽  
Bárbara S. Rodrigues ◽  
Changqiang Chen ◽  
Zhiyu Wang ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted

scholarly journals Surfactant-Free Microwave-Assisted Synthesis of Fe-Doped ZnO Nanostars as Photocatalyst for Degradation of Tropaeolin O in Water under Visible Light

2015 ◽  
Vol 2015 ◽  
pp. 1-9 ◽  
Author(s):  
Tsz-Lung Kwong ◽  
Ka-Fu Yung
Keyword(s):  
Visible Light ◽  
Photocatalytic Degradation ◽  
Irradiation Time ◽  
Catalyst Loading ◽  
Orthogonal Experimental Design ◽  
Microwave Assisted Synthesis ◽  
X Ray ◽  
Microwave Assisted ◽  
Vis Spectroscopy ◽  
Doped Zno

Iron-doped zinc oxide nanostar was synthesized by the microwave-assisted surfactant-free hydrolysis method. The as-synthesized Fe-doped ZnO nanostars catalyst was fully characterized by scanning electron microscope (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), powder X-ray diffraction (XRD), and diffuse reflectance UV-vis spectroscopy (UV-DRA). The photocatalytic activity of the photocatalyst was investigated for the photocatalytic degradation of Tropaeolin O under visible light irradiation. It is observed that the doping of Fe ions enhances the absorption of the visible light and thus the photocatalytic degradation rate of Tropaeolin O would increase. Despite the Taguchi orthogonal experimental design method, the photocatalytic conversion could be achieved at 99.8% in the Fe-doped ZnO catalyzed photodegradation reaction under the optimal reaction conditions of catalyst loading (30 mg), temperature (60°C), light distance (0 cm), initial pH (pH = 9), and irradiation time (3 h). The Fe-doped ZnO photocatalyst can also be easily recovered and directly reused for eight cycles with over 70% conversion.

scholarly journals Screening of Natural Deep Eutectic Solvents for Green Synthesis of 2-methyl-3-substituted Quinazolinones and Microwave-Assisted Synthesis of 3-aryl Quinazolinones in Ethanol

2020 ◽  
Vol 92 (4) ◽  
pp. 511-517
Author(s):  
Mario Komar ◽  
Maja Molnar ◽  
Anastazija Konjarević
Keyword(s):  
Green Synthesis ◽  
Anthranilic Acid ◽  
Deep Eutectic Solvents ◽  
13C Nmr Spectroscopy ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
1H And 13C Nmr ◽  
Microwave Assisted ◽  
Natural Deep Eutectic Solvents ◽  
Quinazolinone Derivatives

In this study, two fast and efficient protocols for green synthesis of 3-substituted quinazolinones were perfomed. A synthesis of 2-methyl-3-substituted quinazolinones was performed in natural deep eutectic solvents, while 3-aryl quinazolinones were obtained by using microwave assisted synthesis. Benzoxazinone, which was used as an intermediate in the synthesis of 2-methyl-3-substituted quinazolinones, was prepared conventionally from anthranilic acid and acetic anhydride. In order to find the most appropriate synthetic path, twenty natural deep eutectic solvents were applied as a solvent in these syntheses. Choline chloride:urea (1 : 2) was found to be the most efficient solvent and was further used in the synthesis of 2-methyl quinazolinone derivatives (2–12). 3-Aryl quinazolinones (13–17), on the other hand, were synthesized in one-pot microwave-assisted reaction of anthranilic acid, different amines and trimethyl orthoformate. All compounds were synthesized in good to excellent yields, characterized by LC-MS/MS spectrometry and 1H- and 13C-NMR spectroscopy.

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