Enantioselective C–H bond functionalization under Co (iii)-catalysis

B Garai, A Das, DV Kumar… - Chemical Communications, 2024 - pubs.rsc.org
While progress in enantioselective C–H functionalization has been accomplished by
employing 4d and 5d transition metal-based catalysts, the rapid depletion of these metals in …

Automated transition metal catalysts discovery and optimisation with AI and Machine Learning

S Mace, Y Xu, BN Nguyen - ChemCatChem, 2024 - Wiley Online Library
Significant progress has been made in recent years in the use of AI and Machine Learning
(ML) for catalyst discovery and optimisation. The effectiveness of ML and data science …

Reversal of Regioselectivity in Asymmetric C− H Bond Annulation with Bromoalkynes under Cobalt Catalysis

A Das, R Mandal, HS Ravi Sankar… - Angewandte …, 2024 - Wiley Online Library
Metal‐catalyzed asymmetric C− H bond annulation strategy offers a versatile platform,
allowing the construction of complex P‐chiral molecules through atom‐and step‐economical …

Iridium-Catalyzed Regiodivergent Atroposelective C–H Alkylation of Heterobiaryls with Alkenes

M Xiong, Z Yan, SC Chen, J Tang, F Yang… - ACS Catalysis, 2024 - ACS Publications
The atroposelective direct C–H alkylation of heterobiaryls with simple alkenes represents a
challenging and underexplored frontier. Herein we report an iridium (I)-catalyzed …

Iron-catalyzed stereoselective C–H alkylation for simultaneous construction of C–N axial and C-central chirality

ZJ Zhang, N Jacob, S Bhatia, P Boos, X Chen… - Nature …, 2024 - nature.com
The assembly of chiral molecules with multiple stereogenic elements is challenging, and,
despite of indisputable advances, largely limited to toxic, cost-intensive and precious metal …

Nickel-Catalyzed Atroposelective C–H Alkylation Enabled by Bimetallic Catalysis with Air-Stable Heteroatom-Substituted Secondary Phosphine Oxide Preligands

ZJ Zhang, MM Simon, S Yu, SW Li… - Journal of the …, 2024 - ACS Publications
The catalytic asymmetric construction of axially chiral C–N atropisomers remains a
formidable challenge due to their low rotational barriers and is largely reliant on toxic, cost …

[HTML][HTML] Machine learning advancements in organic synthesis: A focused exploration of artificial intelligence applications in chemistry

RSAE Ali, J Meng, MEI Khan, X Jiang - Artificial Intelligence Chemistry, 2024 - Elsevier
Artificial intelligence (AI) is driving a revolution in chemistry, reshaping the landscape of
molecular design. This review explores AI's pivotal roles in the field of organic synthesis …

Electrochemical Oxidation of Indoles to Access Tryptanthrins at Room Temperature

Z Guo, Y Liu, H Li, J Wu, M Xie… - Advanced Synthesis & …, 2024 - Wiley Online Library
An electrooxidative reconstruction of the indole core under ambient conditions is reported,
resulting in the construction of tryptanthrins. This electrochemical strategy simplifies …

Cobaltaelectro‐Catalyzed C–H Activation for Central and Axial Double Enantio‐Induction

T von Münchow, YR Liu, R Parmar… - Angewandte …, 2024 - Wiley Online Library
In recent years, enantioselective electrocatalysis has surfaced as an increasingly‐effective
platform for sustainable molecular synthesis. Despite indisputable progress, strategies that …

[HTML][HTML] Mechanistically guided development of homogenous nickel catalysis through rapid computational catalyst screening

D Jankovič, M Mihelač, Ž Testen, B Likozar, M Huš… - Journal of …, 2024 - Elsevier
Advances in understanding the mechanisms of homogeneous nickel catalysis has led to a
remarkable progress in this field. However, the discovery of active catalysts is still largely …