CH Borylation: A Toolbox for Molecular Diversification

S Guria, MMM Hassan, B Chattopadhyay - Organic Chemistry …, 2024 - pubs.rsc.org
Iridium-catalyzed C–H activation and borylation has become as a powerful synthetic tool in
the past few decades because of the widespread applicability and versatility of organoboron …

Emerging and Re-emerging Warheads for Targeted Covalent Inhibitors: An Update

L Hillebrand, XJ Liang, RAM Serafim… - Journal of Medicinal …, 2024 - ACS Publications
Covalent inhibitors and other types of covalent modalities have seen a revival in the past two
decades, with a variety of new targeted covalent drugs having been approved in recent …

Nitrile infrared intensities characterize electric fields and hydrogen bonding in protic, aprotic, and protein environments

JB Weaver, J Kozuch, JM Kirsh… - Journal of the American …, 2022 - ACS Publications
Nitriles are widely used vibrational probes; however, the interpretation of their IR
frequencies is complicated by hydrogen bonding (H-bonding) in protic environments. We …

Mechanistic investigation of the nickel-catalyzed transfer hydrocyanation of alkynes

JC Reisenbauer, P Finkelstein, MO Ebert… - ACS catalysis, 2023 - ACS Publications
The implementation of HCN-free transfer hydrocyanation reactions on laboratory scales has
recently been achieved by using HCN donor reagents under nickel-and Lewis acid co …

Research on catalytic application of Fe3O4@ AAPA-AP-CuCl2 nanocomposite: first nanomagnetic copper catalyst for preparation of aryl nitriles from aldehydes

AN Fajer, HA Al-Bahrani, AAH Kadhum… - Journal of Molecular …, 2024 - Elsevier
Nitrile derivatives play an important role in the synthesis of drugs and medicinal compounds;
and use to treat diseases such as major depression, generalized anxiety, HIV and mild …

Dual incorporation of trifluoromethyl and cyano groups into pyrazole pharmcophores via silver-catalyzed cycloaddition reaction of trifluorodiazoethane

CF Gao, Y Zhou, H Ma, Y Zhang, J Nie… - CCS …, 2022 - chinesechemsoc.org
The dual incorporation of two important functional groups—trifluoromethyl and cyano
moieties into one heterocyclic core in a single-step reaction represents an appealing but …

Critical evaluation of polarizable and nonpolarizable force fields for proteins using experimentally derived nitrile electric fields

JM Kirsh, JB Weaver, SG Boxer… - Journal of the American …, 2024 - ACS Publications
Molecular dynamics (MD) simulations are frequently carried out for proteins to investigate
the role of electrostatics in their biological function. The choice of force field (FF) can …

Nitriles: an attractive approach to the development of covalent inhibitors

V Bonatto, RF Lameiro, FR Rocho, J Lameira… - RSC Medicinal …, 2023 - pubs.rsc.org
Nitriles have broad applications in medicinal chemistry, with more than 60 small molecule
drugs on the market containing the cyano functional group. In addition to the well-known …

C3‐Cyanation of Pyridines: Constraints on Electrophiles and Determinants of Regioselectivity

M Zhang, Q Zhou, H Luo, ZL Tang, X Xu… - Angewandte …, 2023 - Wiley Online Library
Methods for C− H cyanation of pyridines are rare. Here, we report a method for C3‐selective
cyanation of pyridines by a tandem process with the reaction of an in situ generated …

11C-, 12C-, and 13C-cyanation of electron-rich arenes via organic photoredox catalysis

X Wu, W Chen, N Holmberg-Douglas, GT Bida, X Tu… - Chem, 2023 - cell.com
As a non-invasive imaging technology, positron emission tomography (PET) plays a crucial
role in personalized medicine, including early diagnosis, patient screening, and treatment …