Naslov
Shining Light on the Old Reaction; Renaissance of the Hofmann-Löffler-Freytag reaction

Autori
Šakić, Davor

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Computational Chemistry Day, Book of Abstracts / Babić, Darko - Zagreb : Prirodoslovno-matematički fakultet Sveučilišta u Zagrebu, 2022, 4-4

ISBN
978-953-6076-94-9

Skup
Computational Chemistry Day 2023

Mjesto i datum
Zagreb, Hrvatska, 24.09.2022

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Domaća recenzija

Ključne riječi
radicals ; rearrangement ; regioselectivity

Sažetak
Remote C-H functionalization of unreactive sites is a hot topic in the field of modern synthetic chemistry. Currently, transition metal catalysis is used for regio- and stereo-selective modification and introduction of novel functional groups in compounds. Focus has now turned toward reaction sequences that omit usage of metal catalysts, and there is a resurgence of interest in Hofmann-Löffler-Freytag (HLF) reaction, discovered in 19th century. This reaction enables the formation of new compounds according to the principles of green chemistry, in an environmentally friendly manner with highly efficient syntheses. Numerous computational and experimental studies have shown exceptional flexibility and the possibility of optimising this method in order to increase the economy and reduce the amount of waste generated as by-products of synthetic processes. However, the mechanism of this reaction is yet to be elucidated sufficiently, and further experiments are necessary in order to determine the thermodynamic and kinetic parameters that control and guide the HLF reaction. Computational insights in reaction mechanism, with influence of substituents on 1, 5-HAT or 1, 6-HAT regioselectivity in HLF reactions will be presented.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Farmacija

POVEZANOST RADA