Advances and applications in catalysis with earth-abundant metals
Transition-metal catalysis has revolutionized chemical synthesis, with the study and
implementation of new metal complexes and reaction types ubiquitous in both academic …
implementation of new metal complexes and reaction types ubiquitous in both academic …
Revealing the Hidden Complexity and Reactivity of Palladacyclic Precatalysts: The P(o-tolyl)3 Ligand Enables a Cocktail of Active Species Utilizing the Pd(II)/Pd(IV) …
DR Husbands, T Tanner, AC Whitwood… - ACS …, 2024 - ACS Publications
The ligand, P (o-tolyl) 3, is ubiquitous in applied synthetic chemistry and catalysis,
particularly in Pd-catalyzed processes, which typically include Pd (OAc) 2 (most commonly …
particularly in Pd-catalyzed processes, which typically include Pd (OAc) 2 (most commonly …
Mechanistic Investigation of the Rhodium-Catalyzed Transfer Hydroarylation Reaction Involving Reversible C–C Bond Activation
Carbon–carbon (C–C) bonds are ubiquitous but are among the least reactive bonds in
organic chemistry. Recently, catalytic approaches to activate C–C bonds by transition metals …
organic chemistry. Recently, catalytic approaches to activate C–C bonds by transition metals …
How to Develop Organometallic Catalytic Reactions in the Pharmaceutical Industry
V Farina - Organic Process Research & Development, 2023 - ACS Publications
From a careful analysis of the recent literature, it seems clear that many transition-metal-
catalyzed processes used in API synthesis are developed without resorting to any kind of …
catalyzed processes used in API synthesis are developed without resorting to any kind of …
Reaction Kinetics using a Chemputable Framework for Data Collection and Analysis
Automated chemistry platforms have been widely explored, but many focus on fixed tasks for
chemical synthesis or analysis. However, a typical synthetic chemistry workflow utilizes both …
chemical synthesis or analysis. However, a typical synthetic chemistry workflow utilizes both …
Combined Kinetic and Computational Analysis of the Palladium-Catalyzed Formylation of Aryl Bromides
Aryl aldehydes are key synthetic intermediates in the manufacturing of active
pharmaceutical ingredients. They are generated on scale (> 1000 kg) through the palladium …
pharmaceutical ingredients. They are generated on scale (> 1000 kg) through the palladium …
Combining Isothermal and Adiabatic Mode Experiments for Kinetic Constant Estimation: Application to the Hydrogenation of 5-(Hydroxymethyl) furfural (5-HMF)
S Leveneur - Industrial & Engineering Chemistry Research, 2024 - ACS Publications
In the vast majority, kinetic modeling is done under isothermal conditions. The benefit of the
adiabatic mode is using temperature as an online observable. Nevertheless, in the adiabatic …
adiabatic mode is using temperature as an online observable. Nevertheless, in the adiabatic …
Auto-VTNA: an automatic VTNA platform for determination of global rate laws
D Dalland, L Schrecker, KKM Hii - Digital Discovery, 2024 - pubs.rsc.org
The ability and desire to collect kinetic data has greatly increased in recent years, requiring
more automated and quantitative methods for analysis. In this work, an automated program …
more automated and quantitative methods for analysis. In this work, an automated program …
RIPPLY: Real-TIme Parallel Progress AnaLYsis of Organic Reactions Using Near-Infrared Spectroscopy
R van Putten, K De Smet, L Lefort - Organic Process Research & …, 2023 - ACS Publications
High-throughput experimentation (HTE) is an important tool in pharmaceutical process
research and development. However, most of the current HTE workflows do not monitor …
research and development. However, most of the current HTE workflows do not monitor …
Accelerated end-to-end chemical synthesis development with large language models
Y Ruan, C Lu, N Xu, J Zhang, J Xuan, J Pan, Q Fang… - 2024 - chemrxiv.org
The rapid emergence of large language model (LLM) technology presents significant
opportunities to facilitate the development of synthetic reactions. In this work, we leveraged …
opportunities to facilitate the development of synthetic reactions. In this work, we leveraged …