A new C, C-linked functionalized bipyrazole: synthesis, crystal structure, spectroscopies and DFT studies. Evaluation of the antibacterial activity and catalytic properties. - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Heterocycles Année : 2021

A new C, C-linked functionalized bipyrazole: synthesis, crystal structure, spectroscopies and DFT studies. Evaluation of the antibacterial activity and catalytic properties.

Résumé

The synthesis of new C,C-linked functionalized bipyrazole is reported. Its molecular structure has been confirmed by spectroscopic and spectrometric methods and its single crystal structure determined by X-ray analysis. The ligand 2 has been subjected to DFT and TD-DFT theoretical calculations and results are consistent with the experimental chemical analyses. The compound possesses no antibacterial activity up to 256 g/mL. However, its complexes with copper(II) salts are found to be good catalysts for the oxidation of 3,5-di-tert-butylcatechol (DTBC) into 3,5-di-tert-butylquinone (DTBQ) with a rate varying from 9.58 μmol• L-1• min-1 for the 2-[Cu(MeCO2)2] complex to 5.27 μmol• L-1• min-1 for the 2-[Cu(BF4)2] complex.
Fichier principal
Vignette du fichier
submitted-14592.pdf (875.95 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03510616 , version 1 (04-01-2022)

Identifiants

Citer

Ibrahim Bouabdallah, Tarik Harit, Yahya Rokni, Mahmoud Rahal, Monique Tillard, et al.. A new C, C-linked functionalized bipyrazole: synthesis, crystal structure, spectroscopies and DFT studies. Evaluation of the antibacterial activity and catalytic properties.. Heterocycles, 2021, 104 (3), pp.14592. ⟨10.3987/COM-21-14592⟩. ⟨hal-03510616⟩
80 Consultations
47 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More