Computational studies of carboxylate-assisted C–H activation and functionalization at group 8–10 transition metal centers

DL Davies, SA Macgregor, CL McMullin - Chemical reviews, 2017 - ACS Publications
Computational studies on carboxylate-assisted C–H activation and functionalization at
group 8–10 transition metal centers are reviewed. This Review is organized by metal and …

Cyclopentadienyl complexes of group 9 metals in the total synthesis of natural products

VB Kharitonov, DV Muratov, DA Loginov - Coordination Chemistry Reviews, 2022 - Elsevier
Organic transformations catalyzed by cyclopentadienyl complexes of Group 9 metals (cobalt,
rhodium and iridium) are the key steps of the total synthesis of various natural products …

Dispersion and steric effects on enantio-/diastereoselectivities in synergistic dual transition-metal catalysis

B Li, H Xu, Y Dang, KN Houk - Journal of the American Chemical …, 2022 - ACS Publications
Comprehensive computational studies were carried out to explore the mechanisms of
enantioselective Cu/Pd and stereodivergent Cu/Ir dual-catalytic syntheses of α, α …

Alkyne Linchpin Strategy for Drug:Pharmacophore Conjugation: Experimental and Computational Realization of a Meta-Selective Inverse Sonogashira Coupling

S Porey, X Zhang, S Bhowmick… - Journal of the …, 2020 - ACS Publications
The late-stage functionalization (LSF) of pharmaceutical and agrochemical compounds by
the site-selective activation of C–H bonds provides access to diverse structural analogs and …

Mechanistic origins of stereodivergence in asymmetric cascade allylation and cyclization reactions enabled by synergistic Cu/Ir catalysis

H Xu, B Li, Z Liu, Y Dang - ACS Catalysis, 2021 - ACS Publications
Stereodivergent syntheses of bioactive tetrahydro-γ-carbolines have been achieved via
synergistic chiral Cu/Ir catalysis [Nat. Commun. 2019, 10, 5553], in which three stereogenic …

Oxidative coupling mechanisms: current state of understanding

I Funes-Ardoiz, F Maseras - Acs Catalysis, 2018 - ACS Publications
Oxidative coupling reactions, where two electrons are released from the reactants and
trapped by an oxidant, have arisen as a versatile alternative to cross-coupling in chemical …

Cobalt‐Catalyzed Oxidase C− H/N− H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents

R Mei, H Wang, S Warratz… - … A European Journal, 2016 - Wiley Online Library
Cp*‐free cobalt‐catalyzed alkyne annulations by C− H/N− H functionalizations were
accomplished with molecular O2 as the sole oxidant. The user‐friendly oxidase strategy …

Ruthenium (II)-catalyzed C–H functionalization using the oxazolidinone heterocycle as a weakly coordinating directing group: experimental and computational …

JA Leitch, PB Wilson, CL McMullin, MF Mahon… - ACS …, 2016 - ACS Publications
Herein, we report the ruthenium-catalyzed ortho C–H alkenylation of a wide range of N-
aryloxazolidinone scaffolds. Alkenylation was achieved with complete monoselectivity with a …

Cascade C–H Activation/Annulation of Sulfoxonium Ylides with Vinyl Cyclopropanes: Access to Cyclopropane-Fused α-Tetralones

S Saha, B Debnath, K Talukdar, P Karjee… - Organic …, 2023 - ACS Publications
Rh-catalyzed weak and traceless directing-group-assisted cascade C–H activation and
annulation of sulfoxonium ylides with vinyl cyclopropanes as a coupling partner have been …

Theoretical Study on the Rhodium-Catalyzed Electrochemical C–H Phosphorylation: Insights into the Effect of Electro-oxidation on the Reaction Mechanism

D Bai, M Li, RZ Liao - ACS Catalysis, 2023 - ACS Publications
The merging of transition-metal-catalyzed C–H bond activation with electro-oxidation has
evolved into an appealing protocol for oxidative C–H bond functionalization. Nevertheless …