Quantum chemical calculations for reaction prediction in the development of synthetic methodologies

H Hayashi, S Maeda, T Mita - Chemical Science, 2023 - pubs.rsc.org
Quantum chemical calculations have been used in the development of synthetic
methodologies to analyze the reaction mechanisms of the developed reactions. Their ability …

Cu-Catalyzed amination of base-sensitive aryl bromides and the chemoselective N-and O-arylation of amino alcohols

MJ Strauss, KX Liu, ME Greaves, JC Dahl… - Journal of the …, 2024 - ACS Publications
We report a general and functional-group-tolerant method for the Cu-catalyzed amination of
base-sensitive aryl bromides including substrates possessing acidic functional groups and …

Cross-coupling by a noncanonical mechanism involving the addition of aryl halide to Cu (II)

CP Delaney, E Lin, Q Huang, IF Yu, G Rao, L Tao… - Science, 2023 - science.org
Copper complexes are widely used in the synthesis of fine chemicals and materials to
catalyze couplings of heteroatom nucleophiles with aryl halides. We show that cross …

Copper nanoclusters: emerging photoredox catalysts for organic bond formations

A Sagadevan, K Murugesan, OM Bakr… - Chemical …, 2024 - pubs.rsc.org
Advancements in fine chemical synthesis and drug discovery continuously demand the
development of new and more efficient catalytic systems. In this regard, numerous transition …

Predicting success in Cu-catalyzed C–N coupling reactions using data science

MH Samha, LJ Karas, DB Vogt, EC Odogwu… - Science …, 2024 - science.org
Data science is assuming a pivotal role in guiding reaction optimization and streamlining
experimental workloads in the evolving landscape of synthetic chemistry. A discipline-wide …

6‐Hydroxy Picolinohydrazides Promoted Cu (I)‐Catalyzed Hydroxylation Reaction in Water: Machine‐Learning Accelerated Ligands Design and Reaction …

L Xu, J Zhu, X Shen, J Chai, L Shi, B Wu… - Angewandte …, 2024 - Wiley Online Library
Hydroxylated (hetero) arenes are privileged motifs in natural products, materials, small‐
molecule pharmaceuticals and serve as versatile intermediates in synthetic organic …

“Naked Nickel”-Catalyzed Amination of Heteroaryl Bromides

R Saeb, B Boulenger, J Cornella - Organic Letters, 2024 - ACS Publications
In this Letter, we report that the air-stable “naked nickel”[Ni (4-t Bustb) 3] is a competent
catalyst in thermal C–N bond formation between (hetero) aryl bromides and N-based …

Adaptive photochemical amination via Co (II) catalysis

G Song, J Song, Q Li, T Kang, J Dong, G Li… - Journal of the …, 2024 - ACS Publications
Transition-metal-catalyzed amination of aryl halides is one of the most employed methods
for constructing N-arylation adducts. However, the broad success of these reactions largely …

Copper-Catalyzed Amination of Aryl Chlorides under Mild Reaction Conditions

HJ Ai, ST Kim, C Liu, SL Buchwald - Journal of the American …, 2024 - ACS Publications
We report a mild method for the copper-catalyzed amination of aryl chlorides. Key to the
success of the method was the use of highly sterically encumbered N 1, N 2-diaryl diamine …

C (sp 2)–S cross-coupling reactions with nickel, visible light, and mesoporous graphitic carbon nitride

M Nikitin, F Babawale, S Tastekin, M Antonietti… - Green …, 2024 - pubs.rsc.org
Cross-coupling reactions play a vital role in modern organic synthesis, enabling the
construction of necessary C–C or C–(het) atom bonds for synthetic transformations …