Substrate-directed C (sp 3)–H borylation via transition metal catalysis: expanding the toolbox for C–H functionalization

DD Thalakottukara, M Sekar, A Mandal… - Catalysis Science & …, 2024 - pubs.rsc.org
Organoborons play a crucial role in organic synthesis, easing the construction of C–C and C–
X bonds which in turn sensitize C–H borylation reactions. In the consideration of inert C …

Sulfur-directed ligand-free C–H borylation by iridium catalysis

L Liu, G Wang, J Jiao, P Li - Organic letters, 2017 - ACS Publications
An iridium-catalyzed ortho C–H borylation reaction directed by cyclic dithioacetal moiety is
disclosed. A series of borylation products were obtained in moderate to good yields under …

sp3 C–H Borylation Catalyzed by Iridium(III) Triboryl Complex: Comprehensive Theoretical Study of Reactivity, Regioselectivity, and Prediction of Excellent Ligand

RL Zhong, S Sakaki - Journal of the American Chemical Society, 2019 - ACS Publications
Iridium-catalyzed C–H borylation of THF was theoretically investigated as example of sp3 C–
H functionalization. DFT computations show that β-regioselective borylation occurs more …

Methane borylation catalyzed by Ru, Rh, and Ir complexes in comparison with cyclohexane borylation: Theoretical understanding and prediction

RL Zhong, S Sakaki - Journal of the American Chemical Society, 2020 - ACS Publications
Methane borylation catalyzed by Cp* M (Bpin) n (M= Ru or Rh; HBpin= pinacolborane; n= 2
or 3) and (TMPhen) Ir (Bpin) 3 (TMPhen= 3, 4, 7, 8-tetramethyl-1, 10-phenanthroline) was …

[HTML][HTML] Insights into the role of noncovalent interactions in distal functionalization of the aryl C (sp 2)–H bond

A Unnikrishnan, RB Sunoj - Chemical Science, 2019 - pubs.rsc.org
Burgeoning interest in distal functionalization of aryl C–H bonds led to the development of
iridium-catalyzed borylation reactions. The significance and inadequate mechanistic …

A Computational Mechanistic Analysis of Iridium-Catalyzed C(sp3)–H Borylation Reveals a One-Stone–Two-Birds Strategy to Enhance Catalytic Activity

M Zhang, H Wu, J Yang, G Huang - ACS Catalysis, 2021 - ACS Publications
The recently developed iridium-catalyzed C (sp3)–H borylation with the 2, 2′-
dipyridylarylmethane ligand provides a highly efficient catalytic system for alkane borylation …

Aliphatic C(sp3)–H Bond Activation Using Nickel Catalysis: Mechanistic Insights on Regioselective Arylation

S Singh, SK, RB Sunoj - The Journal of Organic Chemistry, 2017 - ACS Publications
Transition-metal-catalyzed C (sp3)–H bond activation in aliphatic compounds are of current
interest. Lack of mechanistic insights on Ni-catalyzed C (sp3)–H activation using 8 …

Spirobipyridine Ligand Enabled Iridium‐Catalyzed Site‐Selective C− H Activation via Non‐Covalent Interactions

K Dong, T Wu, M Wang, L Lin - Angewandte Chemie, 2024 - Wiley Online Library
The selective borylation of specific C− H bonds in organic synthesis remains a formidable
challenge. In this study, we present a novel spirobipyridine ligand that features a binaphthyl …

Rational design of a catalyst for the selective monoborylation of methane

S Ahn, D Sorsche, S Berritt, MR Gau, DJ Mindiola… - ACS …, 2018 - ACS Publications
Combined computational and experimental studies elucidate the mechanism and suggest
rational design and optimization strategies of a bis (phosphine)-supported iridium-catalyst …

Mechanism and Origins of Enantioselectivity of Iridium-Catalyzed Intramolecular Silylation of Unactivated C(sp3)–H Bonds

M Zhang, J Liang, G Huang - The Journal of Organic Chemistry, 2019 - ACS Publications
Density functional theory calculations were performed to investigate the iridium-catalyzed
intramolecular silylation of unactivated C (sp3)–H bonds. The computations show that the in …