Work

4,5-dichlorizothiazole-3-carboxylates and pyridine-containing derivatives of benzocyclopentaquinolines and benzacridines: synthesis and quantumchemical modeling of physicochemical properties and dependence structure–biological activity

Year: 2025

Type: article

Abstract: Benzocyclopentaquinolines and benzacridines were obtained via cascade three-component condensation of substituted aldehydes, 1,3-cycloalkyldiketones and 2-naphthylamine or 1,5-diaminonaphthalene with a yield of 60–88 %. The synthesized polynitrogen heterocyclic compounds are of interest for biotesting for various types of activity and also as bulk ligands for obtaining metal complexes – promising catalysts for cross-combination reactions. Using the quantum chemical modeling method by conducting nonempirical calculations with a theory level of HF/6-31G, a complete optimization of geometric parameters was carried out and the electronic structure of 18 esters of 4,5-dichlorothiazole carboxylic acid with substituted benzocyclopentaquinolines and benzoacridines was determined.

Source: Proceedings of the National Academy of Sciences of Belarus Chemical Series

DOI: 10.29235/1561-8331-2025-61-3-206-217

Authors: E. A. Dikusar, E. A. Akishina, S. S. Kovalʼskaya, N. A. Zhukovskaya, V. I. Potkin

Institutions: National Academy of Sciences of Belarus, Institute of Physical and Organic Chemistry

Language: English

Topic: Multicomponent Synthesis of Heterocycles

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: diamond

Funder: Belarusian Republican Foundation for Fundamental Research

OpenAlex ID: W4413842329

FWCI: 0.298

Cites: 15

Cited by: 1

Related to: 10