Emerging strategies for synthesis of heterocyclic compounds enabled by titanium oxide nanoparticles as heterogeneous catalyst

Dixit, Vaishali; Kumar, Gourav; Kumar, Parveen; Soni, Akta; Nemiwal, Meena

doi:10.1016/j.tet.2024.134039

Tetrahedron

2024

DOI: 10.1016/j.tet.2024.134039

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Emerging strategies for synthesis of heterocyclic compounds enabled by titanium oxide nanoparticles as heterogeneous catalyst

Vaishali Dixit,

Gourav Kumar,

Parveen Kumar

et al.

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2024

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Catalyzed syntheses of novel series of spiro thiazolidinone derivatives with nano Fe2O3: spectroscopic, X-ray, Hirshfeld surface, DFT, biological and docking evaluations

Abbass,

El-Rayyes,

Khalil Ali

et al. 2024

Sci Rep

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Twelve spiro thiazolidinone compounds ( A–L ) were synthesized via either conventional thermal or ultrasonication techniques using Fe 2 O 3 nanoparticles. The modification of the traditional procedure by using Fe 2 O 3 nanoparticles led to enhancement of the yield of the desired candidates to 78–93% in approximately half reaction time compared with 58–79% without catalyst. The products were fully characterized using different analytical and spectroscopic techniques. The structure of the two derivatives 4-phenyl-1-thia-4-azaspirodecan-3-one ( A ) and 4-(p-tolyl)-1-thia-4-azaspirodecan-3-one ( B ) were also determined using single crystal X-ray diffraction and Hirshfeld surface analysis. The two compounds ( A and B ) were crystallized in the orthorhombic system with Pbca and P2 1 2 1 2 1 space groups, respectively. In addition, the crystal packing of compounds revealed the formation of supramolecular array with a net of intermolecular hydrogen bonding interactions. The energy optimized geometries of some selected derivatives were performed by density functional theory (DFT/B3LYP). The reactivity descriptors were also calculated and correlated with their biological properties. All the reported compounds were screened for antimicrobial inhibitions. The two derivatives, F and J , exhibited the highest levels of bacterial inhibition with an inhibition zone of 10–17 mm. Also, the two derivatives, F and J , displayed the most potent fungal inhibition with an inhibition zone of 15–23 mm. Molecular docking investigations of some selected derivatives were performed using a B-DNA (PDB: 1BNA) as a macromolecular target. Structure and activity relationship of the reported compounds were correlated with the data of antimicrobial activities and the computed reactivity parameters.

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Catalyzed syntheses of novel series of spiro thiazolidinone derivatives with nano Fe2O3: spectroscopic, X-ray, Hirshfeld surface, DFT, biological and docking evaluations

Abbass,

El-Rayyes,

Khalil Ali

et al. 2024

Sci Rep

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Emerging strategies for synthesis of heterocyclic compounds enabled by titanium oxide nanoparticles as heterogeneous catalyst

Cited by 1 publication

References 155 publications

Catalyzed syntheses of novel series of spiro thiazolidinone derivatives with nano Fe2O3: spectroscopic, X-ray, Hirshfeld surface, DFT, biological and docking evaluations

Catalyzed syntheses of novel series of spiro thiazolidinone derivatives with nano Fe2O3: spectroscopic, X-ray, Hirshfeld surface, DFT, biological and docking evaluations

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