📢 #LAQV Webinars | Jan 28, 12h WET
Join us!
👉 Ricardo Chagas on selective #cellulose modification for #sustainable applications
👉 José C. da Cunha on #HypervalentIodine synthesis of sulfones
👩‍💻 Chair: Paula Branco
🔗 laqv.requimte.pt/gazette/1216... ✨

A machine learning approach for predicting the reactivity power of hypervalent iodine compounds The knowledge of chemical reactivity of substrates is a prerequisite to accurately design a chemical reaction; however, it has been a challenging task…

ML predicts DFT bond dissociation energies of ~1150 hypervalent iodine reagents. Useful for ranking/screening, not replacing experiments. Key features reflect electronegativity & polarizability.
www.sciencedirect.com/science/arti...
#JournalClub #MachineLearning #Chemistry #HypervalentIodine

Skeletal Editing Via CH→N Atom Swapping in Fused Imidazoles: Access to Triazolo[5,1-a]isoquinoline, Triazolo[1,5-a]quinoline, and Triazolo-[1,5-a]pyridines Frameworks Herein, we report a practical and efficient carbon-to-nitrogen atom swap in 2-phenylimidazo[2,1-a]isoquinoline and 2-phenylimidazo[1,2-a]quinoline scaffolds, enabling their direct conversion to the corresponding 2-phenyl-[1,2,4]triazolo[5,1-a]isoquinoline and 2-phenyl-[1,2,4]triazolo[1,5-a]quinoline analogues. This transformation exploits the intrinsic reactivity of the parent heterocycles to undergo a cascade sequence involving oxidative cleavage, amination, and cyclization (OCAC) under mild conditions with functional group tolerance.

Skeletal Editing Via CH→N Atom Swapping in Fused Imidazoles: Access to Triazolo[5,1-a]isoquinoline, Triazolo[1,5-a]quinoline, and Triazolo-[1,5-a]pyridines Frameworks | Organic Letters #SkeletalEditing #Atomswap #OrgLett #Hypervalentiodine @acs.org @pubs.acs.org pubs.acs.org/doi/full/10....

Kyle Plunkett and co-researchers from the Southern Illinois University and the University of Illinois Urbana-Champaign explore the binding of hypervalent iodine #macrocycles with two first group #AlkaliMetals.
🔗 https://tinyurl.com/jhj9w2up
#HypervalentIodine #SupramolecularChemistry #BJOC 💎🔓