Cycle / Years
40th cycle [2024-2027]
Contacts
Supervisor(s)
Prof.ssa Anna Iuliano, Prof. Filippo Lipparini
Title of the PhD project
Asymmetric activation by chiral natural compounds for enantioselective C-C bond formation: a combined experimental-computational approach
Abstract of the PhD project
The enantioselective synthesis of complex biologically active molecules, particularly those with multiple stereocenters, remains a significant challenge in organic chemistry. Cyclohexadienones, particularly 2,5-cyclohexadienones, have been recognized as versatile building blocks for such synthesis due to their wide reactivity profiles.
This project aims to investigate the 1,4-addition of arylboronic acids to prochiral cyclohexadienones under Rh(I) catalysis, using natural compound derivatives as chiral ligands, exploring both diastereo- and enantioselectivity. To optimize the reaction, computational studies using Density Functional Theory (DFT) and advanced methods (such as CASSCF) will be used to identify transition states, intermediates, and to evaluate relative free energies. These studies aim to enhance the understanding of asymmetric induction in this reaction, facilitating the design of an efficient synthetic protocol.
Academic Fields and Disciplines (SSD), main and secondary
CHIM06
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