Research

Chemical Sciences

Title :

Transition Metal Catalyzed Tandem Carbo- and Heterocyclizations through the Activation of Carbon-Carbon Multiple Bonds & Development of New Oxidative Fluorinating Reagents for the Oxidation & Simultaneous Fluorination of Alkynes: Mechanistic Studies through DFT & Reaction Scope

Area of research :

Chemical Sciences

Focus area :

Catalysis, Organic Synthesis

Principal Investigator :

Dr. Sabyasachi Bhunia, Central University Of Jharkhand, Ranchi, Jharkhand

Timeline Start Year :

2024

Timeline End Year :

2027

Contact info :

Details

Executive Summary :

Transition metal catalyzed cascade reactions are a rapidly growing area of research that offers new opportunities for C–H/C–C/C–hetero bond formations to form complex carbo- and heterocycles. This research aims to create new synthetic chemistry systems in cascade reactions using cycloisomerizations, C–H bond activations, and cycloadditions. The proposal focuses on in-situ generation of metal carbenes or other highly reactive intermediates, involving organic transformations such as C–H activations, cycloisomerizations, and various cycloaddition processes. The proposal also addresses challenges in generating a variety of metal carbenes or vinyl metal intermediates from simple precursors. The primary process of the proposed investigation involves developing synthetic protocols that initiate these reactions by carefully placed metal-carbene or vinyl metal intermediates generated through a metal-catalyzed cascade reaction. The proposal also focuses on creating large libraries of molecules for biological testing, as the anticipated products are linked to various heteroaromatic rings. The second part of the proposal focuses on developing a novel oxidative fluorinating reagent that can simultaneously oxidize and fluorinate alkynes. Fluorination of organic molecules is still complex and challenging in synthetic organic chemistry. The proposal proposes that pyridine-based tert-N-oxides would be the best hydrogen-bond acceptor to form a stable complex with HF, making it the perfect and efficient reagent for oxidative fluorination of alkynes. DFT calculations will be used to establish the entire mechanistic path, with software like GAUSSIAN/ORCA being employed depending on the establishment's requirements.

Total Budget (INR):

51,81,264

Organizations involved