Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative

Year : 2025 | Volume : 12 | Issue : 02 | Page : 1 17
    By

    B. Premalatha,

  • B Premalatha,

  • P. Punitha,

  1. Research Scholar, Department of Chemistry, Annamalai University, Annamalai Nagar, Chidambaram, Tamil Nadu, India
  2. Assistant Professor, PG and Research Department of Chemistry, Government Arts College, Chidambaram, Tamil Nadu, India
  3. Assistant Professor, Department of Chemistry, Srinivasa Subbraya Polytechnic College, Puthur, Mayiladuthurai, Tamil Nadu, India

Abstract

(E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that 2,3-DMBH is a promising drug candidate. Further, analysis of Non-Linear Optical(NLO) properties shows that the molecule has considerable NLO activity and it strongly support that the compound possesses electronic properties. HOMO-LUMO analysis proved that the compound possess chemical stability. Mulliken population analysis for the compound shows the presence of intermolecular hydrogen bonding. MEP diagram of the compound shows the electrophile and nucleophile activity.

Keywords: NLO activity, DFT Studies, HOMO-LUMO, MEP diagram, Mulliken Scale

[This article belongs to Emerging Trends in Chemical Engineering ]

How to cite this article:
B. Premalatha, B Premalatha, P. Punitha. Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative. Emerging Trends in Chemical Engineering. 2025; 12(02):1-17.
How to cite this URL:
B. Premalatha, B Premalatha, P. Punitha. Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative. Emerging Trends in Chemical Engineering. 2025; 12(02):1-17. Available from: https://journals.stmjournals.com/etce/article=2025/view=206218


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Regular Issue Subscription Original Research
Volume 12
Issue 02
Received 11/03/2025
Accepted 18/03/2025
Published 03/04/2025
Publication Time 23 Days
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