Indian Journal of Chemistry (IJC)

Synthesis of α-Hydroxy, β-Bromo-exo-Dicyclopentadiene-1-one: A New Building Block for Cyclopentanoids

2025-07-07T21:52:09+0530

Here, we describe a simple synthetic strategy for the preparation of α-hydroxy, β-bromo-exo-dicyclopentadiene-1-one by following a 3-step sequence. The synthetic strategy rely on operationally simple reactions and high yielding steps. The newly synthesized compounds are characterized by NMR and HRMS data. The disclosed compound α-hydroxy, β-bromo-exo-dicyclopentadiene-1-one is similar to exo-dicyclopentadiene-1-one and it can be used a key building block to expand the chemical space of cyclopentanoids.

Lewis Acid-Promoted Synthesis of 3-Tosylisoindolinone from 3-Hydroxyisoindolinone: Access to Complex Furopyrroloisoindoledione

2025-03-12T20:39:09+0530

An efficient methodology has been developed for the synthesis of sulfur-functionalized isoindolone scaffold from hydroxyisoindolinone via N-acyliminium ion intermediate using TosMIC and Lewis acid in good to excellent yields. The strategy features mild reaction conditions, broad substrate scope, metal-free reaction method. The protocol has been extended for the synthesis of complex furopyrroloisoindoledione derivatives.

Antituberculosis activity of α-aminoacyl amide derivatives

2025-05-05T10:33:37+0530

The preparation and evaluation of α-aminoacyl amides derivatives against M. tuberculosis H37Rv is reported. The systematic modifications of hit compound were carried out. Compounds 19b and 19c are identified as potent and selective inhibitors of M. tuberculosis H37Rv with MIC 2.5 µM and 2.6 µM respectively. Compounds 19b and 19c hold a promise for further development to discover new potent antituberculosis lead.

The Esterification of Levulinic Acid with Alcohol Catalyzed by hierarchically porous ZSM-5 Zeolites: A Study on Catalyst Efficiency and Product Selectivity

2025-04-23T12:39:35+0530

This study evaluates the catalytic performance of ZSM-5 zeolites synthesized using corn stem pith powder as a hard template in the esterification of levulinic acid with 1-proponal and heptanol. The structural and textural properties of the zeolites are characterized, revealing a hierarchical porous nature. The catalytic activity of the ZSM-5 is assessed in the esterification of levulinic acid with 1-propanol and heptanol, yielding corresponding esters with high selectivity. The effects of reaction parameters, including temperature, molar ratio, catalyst loading, and reaction time, are systematically studied to optimize reaction conditions. The reusability and stability of the catalyst are evaluated through multiple reaction cycles. The results are compared with those obtained using conventional ZSM-5, highlighting the advantages of the meso porous structure. This study provides valuable insights into the design of hierarchical zeolite catalysts for green and sustainable chemistry applications. The use of corn stem pith powder as a hard template enhances the textural properties of the zeolite while promoting sustainability and resource efficiency.

Molecular docking, dynamics simulation, DFT, MEP, PASS and ADMET approaches to methyl α-D-glucopyranoside derivatives for potential inhibitors of chikungunya virus

2025-06-17T11:29:22+0530

This study investigated the development of novel carbohydrate derivatives derived from methyl α-D-glucopyranoside and their potential applications in drug development. The derivatives of methyl α-D-glucopyranoside and the parent compound were optimized through advanced quantum mechanical methods, and density functional theory (DFT) calculations were carried out at the B3LYP level of theory with the 6-31G++ basis set to determine their thermodynamic parameters, such as Gibbs free energy, enthalpy, entropy, and dipole moment, which were subsequently calculated to understand their chemical behavior. Frontier molecular orbital (FMO), density of states (DOS), vibrational frequency (FT-IR), UV‒visible, and molecular electrostatic potential (MEP) analyses of the seven modified compounds were carried out. Molecular docking has been performed against the viral protein of chikungunya virus, which revealed the binding modes, nonbonding interactions, and binding affinities of these derivatives, shedding light on their potential antiviral activity. Compared with those of methyl α-D-glucopyranoside, all the derivatives presented increased binding affinities. A 150 ns molecular dynamics simulation was conducted to observe the behavior of the complex structure, revealing a stable conformation and binding mode in the stimulating environment of the compounds. Pharmacological and pharmacokinetic assessments, including toxicity, metabolism, and absorption, were conducted via ADMET and PASS to identify the most promising candidates for future development. ADMET analysis revealed that the derivatives have lower toxicity and improved pharmacokinetic features over those of the parent compound. This research highlights the therapeutic potential of carbohydrate-based compounds, paving the way for the development of new carbohydrate-derived drugs as potential inhibitors of the chikungunya virus.

Synthesis, antimicrobial and antimalarial activity of novel Carbazole derivatives

2025-04-17T11:46:47+0530

1-((9H-carbazol-4-yl)oxy)-3-(piperazine-1-yl) propane-2-ol 3 was synthesized by condensing Epoxy carbazole 1 and piperazine 2. 2-(4-(3-((9H-carbazol-4-yl)oxy)-2-hydroxypropyl)piperazin-1-yl)-1-phenylpropan-1-one 5a – 5c derivatives were synthesized by using 1-((9H-carbazol-4-yl)oxy)-3-(piperazin-1-yl)propan-2-ol 3 and different derivatives of 2-bromo-1-phenylpropan-1-one 4a–4c. IR, ¹HNMR, ¹³C NMR, Mass spectroscopy & C, H, N analysis elucidated the structures of compounds. The title compounds were explored to antimalarial & antibacterial activity and exhibits promising result.

Supramolecular assembly with Hydrogen bonded network solid formed by Reaction of Cyanuric chloride with Thiourea - Spectral and Anitmicrobial studies

2025-08-02T13:22:23+0530

Interaction of thiourea (Tu) with cyanuric chloride (CC) in aqueous solution yielded a compound, (Tu)₂(CA)₂(NCS)(H₂O)₃, (CA-TU) (CA = cyanuric acid).The elemental composition, TG-DTA and mass spectrum confirmed the proposed composition.Infrared bands at 2026 cm^-1 and 1725 cm^-1 indicated -NCS and C=O groups respectively along with the -OH and -NH stretching bands.¹HNMR indicated protonated H₂O (13.35 ppm) and N-H (6.05 - 7.01 ppm).The ¹³CNMR revealed -NCS carbon resonances at 116.99 ppm and at 178.83 ppm due to thiourea carbon.The signals at 150.39, 148.41 and 145.34 ppm are due to CA carbonyls.Thermal studies indicated that stepwise decomposition leading to NH₄NO₃ and then to nil residue.The compound is a supramolecular assembly of extensively H-bonded network work solid.The compound was found to be more effective towards Gram positive bacteria than Gram negative bacteria.The action is superior to fungi compared to that of the standard Amphotericin-B.The presence of sulphur and nitrogen moieties make it a good antifungal agent.