Kinetics Study of the Formation of Pyrmidine Thione from the Reaction of 2,6-Dibenzylidinecyclohexanone and its Derivatives with Thiourea

A new series of novel pyrazoline compounds were synthesized by addition of thiosemicarbazide to the 2,6-dibenzylidenecyclohexanone (Chalcone) and its para substituted derivatives. This study was conducted for four purposes. Firstly, a series of five membered ring pyrazoline compounds were synthesized and the structure of all new products obtained are supported by spectral data (1H-NMR, 13CNMR, IR and UV-Vis.), and the effect of substituents were studied. Secondly, the reaction kinetics of the new synthesized compounds were studied to investigate the reaction mechanism pathway and order of the reaction; it was found that, the reaction undergoes via Claisen route of mechanism with first-order reaction. Thirdly, the thermodynamics of the reaction were studied, the rate of the reaction, Arrhenius parameters (A), and thermodynamic parameters for activation includes (free energies (Ea), entropies (ΔS#), and Gibbs free energy (ΔG#) were estimated. Finally, the compensation effect was also studied, and found the same pathway for all of the synthesized pyrazoline compounds.

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Synthesis of new series of Pyrazoline, and study their Kinetics and Reaction Mechanism

Kaka

Taher

Hamad

et al. 2019

ARO

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Synthesis Development and Molecular Docking Study of New Azo Chalcone Derivatives

Ibrahim,

Mohammed

2024

ARO

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This work is divided into two main parts. The first part involves the synthesis of new azo chalcone compounds through a two-step process. Initially, azo compounds are synthesized by diazotizing 3-nitroaniline, followed by a coupling reaction with 4-hydroxyacetophenone, which has a terminal ketone group. Subsequently, the resulting product undergoes a Claisen–Schmidt condensation reaction with various aromatic aldehyde substrates to produce new α, β-unsaturated ketones, known as azo chalcone compounds. The successful synthesis of these compounds is confirmed using Fourier-transform infrared spectroscopy, ¹HNMR, and ¹³C NMR spectral analyses. The second part of this study explores the theoretical biological activity of the synthesized compounds against severe acute respiratory syndrome coronavirus 2 through molecular docking studies. The results indicate potential antiviral properties for each compound, with compounds B5 and B8 exhibiting the most promising results. These compounds achieved higher docking scores (ΔG −6.235 kcal/mol and −5.832 kcal/mol, respectively) and each formed four hydrogen bonds with the target protein.

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Kinetics Study of the Formation of Pyrmidine Thione from the Reaction of 2,6-Dibenzylidinecyclohexanone and its Derivatives with Thiourea

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Synthesis of new series of Pyrazoline, and study their Kinetics and Reaction Mechanism

Synthesis of new series of Pyrazoline, and study their Kinetics and Reaction Mechanism

Synthesis Development and Molecular Docking Study of New Azo Chalcone Derivatives

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