Design, Synthesis and in Silico Studies of New 2-MethylQuinazolin-4(3H)- Ones Derivatives

Abstract

The concept of the green chemistry consists in the development of an environmentally friendly approach for organic synthesis using ecological and efficient protocols. In order to develop a methodology that could fit into the green chemistry field, for the synthesis of new quinazolin-4(3H)-ones derivatives via benzoxazinone, the choice was made on the use of both as catalysts, known for their efficiency, and microwave irradiations for time saving.The quinazolinone core and its derivatives form an important class of compounds, as they are present in a large family of products with broad biological activities. They generally display useful therapeutic and pharmacological properties such as anti-inflammatory, anti-convulsant, antihypertensive and antimalarial activity.The derivatives of the 2-metylquinazolin-4(3H)-ones 3a-d series was synthesized from 2- methyl benzoxazin-4(3H)-one 1 and aniline in the presence of H3PW12O40 (PW12) under microwave irradiation and solvent free conditions. The compound structures were established using IR, 1H-NMR, 13C-NMR and mass spectroscopy. The toxicity of the hydrazone derivatives was studied through ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) simulations using ADMET Lab 2.0 server.

Keywords

• Keggin-type heteropolyacids
• Quinazolin-4(3H)-ones
• Benzoxazin-4(3H)-one

References

1. Ighilahriz-Boubchir, K., Benazzouz-Touami, A. & Makhloufi-Chebli, M. (2024). Design, synthesis and in silico studies of new 2-methyl quinazolin-4(3h)-ones derivatives. The Eurasia Proceedings of Science, Technology, Engineering & Mathematics (EPSTEM), 28, 519-525.