A New and an Eco-Friendly Approach for the Construction of Multi-Functionalized Benzenes with Computational Studies.

The new path chosen is more appropriate in the context of green chemistry. This research aims to construct 5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (THNDC) and 1,2,3,4-tetrahydroisoquinoline-6,8-dicarbonitrile (THIDC) derivatives via the cyclization of three easily obtainable reactants under an environmentally benign mortar and pestle grinding technique. Notably, the robust route offers an esteemed opportunity for the introduction of multi-substituted benzenes and ensures the good compatibility of bioactive molecules.

Ultrasonic-accelerated rapid protocol for the improved synthesis of pyrazoles.

A simple, catalyst-free, green synthetic protocol is described for the one-pot synthesis of pyrazoles via multicomponent reaction of aromatic aldehydes, hydrazine monohydrate and ethyl acetoacetate and malononitrile/ammonium acetate in water under ultrasound irradiation. This protocol avoids traditional chromatography and purification steps and it affords highly selective conversion with no byproducts.

Ozone-driven photocatalyzed degradation and mineralization of pesticide, Triclopyr by Au/TiO2.

Triclopyr is a widely used pesticide which is non-biodegradable and enters aquatic systems. The ozone facilitated photocatalyzed degradation and mineralization of Triclopyr using Au-loaded titania as heterogeneous catalyst is reported. The oxidative degradation activity of the hazardous pesticide was investigated at pH 7.

Novel carbapenem chalcone derivatives: synthesis, cytotoxicity and molecular docking studies.

A one-pot efficient synthetic protocol is described for the synthesis of carbapenem chalcone derivatives using AAPTMS@MCM-41 heterogeneous catalyst. Various substituted aromatic aldehydes were attached to highly chiral and reactive carbapenem using this approach. The cytotoxic activity evaluation of all synthesized compounds was performed against lung cancer cell lines (A-549) and breast cancer cell lines (MCF-7) using the MTT assay.

Multicomponent one-pot synthesis of highly-functionalized pyrrole-3-carbonitriles in aqueous medium and their computational study.

A one-pot green protocol involving four-components in aqueous medium is developed to synthesize highly-functionalized pyrroles in good yields. Two of the newly synthesized compounds were subjected to in silico analysis on the Pharm Mapper web-server and the human mitogen-activated protein kinase1 (MEK1) enzyme was identified as a potential target protein for these compounds. For target validation, MEK-1 inhibition was performed with two representative compounds (5g and 5h) using docking simulations.

Eco-efficient ultrasonic responsive synthesis of pyrimidines/pyridines.

Using ultrasound irradiation, two simple one-pot multicomponent methods are described for syntheses of highly functionalized pyrimidine/pyridine derivatives in excellent yields in the presence of NaOH at room temperature. While one route involved aromatic aldehyde, thiourea and acetoacetanilide, the other employed aromatic aldehyde, malononitrile and benzyl mercaptane or EtOH. These approaches afford several advantages over former and contemporary reaction methodologies in terms of operational simplicity, simple work-up procedure, higher yield, short reaction time and environment friendly protocols.

Prediction of theoretical physicochemical properties and one-pot synthesis of bis-azetidinones by [2+2] ketene--imine cycloaddition in the presence of montmorillonite.

A simple, highly efficient and environmentally friendly microwave accelerated one-pot synthesis of a series of differently substituted bis-azetidinones have been synthesized expeditiously in good yields from 1,2-diaminoethane and aromatic aldehydes in the presence of zeolite. The structures of the newly synthesized compounds were confirmed by IR, NMR, and mass spectra. The design and calculated molecular properties of all the reported compounds are on the basis of hypothetical antibacterial pharmacophores, which were formulated to interact with microorganisms.