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Current Organocatalysis

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ISSN (Print): 2213-3372
ISSN (Online): 2213-3380

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Research Article

Preparation, Computational and Spectroscopic Analysis of a n Efficient Medicinal Molecule: 4-Bromoquinoline-2-carboxaldehyde

Author(s): M. Amin Mir*

Volume 12, Issue 3, 2025

Published on: 07 January, 2025

Page: [224 - 232] Pages: 9

DOI: 10.2174/0122133372362996241228014644

Price: $65

Abstract

Introduction: This paper presents the synthesis, spectroscopic characterization, and computational modeling of 4-Bromoquinoline-2-carboxaldehyde (4-BQCA), an effective therapeutic compound. 4-BQCA, a quinoline derivative, has drawn interest because of its distinct chemical structure and its medical uses.

Method: The chemical was produced with excellent yield and purity using a simple, repeatable reaction route. Density functional theory (DFT) studies were carried out to learn more about the compound's molecular characteristics, including its electronic structure, bonding, and stability. The structure and functional groups found in 4-BQCA were verified by spectroscopic investigation, which included UV-Vis, FT-IR, NMR, and mass spectrometry.

Result: The compound's stability and advantageous electrical characteristics are highlighted by the results of both computational and experimental methods, indicating that it may find application in medication design and development.

Conclusion: These results offer a starting point for further investigations into the biological activity and therapeutic effectiveness of 4-BQCA, indicating that it is a viable option for more study in pharmaceutical applications.

Keywords: Computational modelling, polarizability, B3LYP, medicinal chemistry, molecular efficiency, 4-BQCA.

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