Skip to main content

Organic Chemistry

Manganese-catalyzed nucleophilic addition of aldehydes to carbonyl compounds via hydrazone umpolung on water

Hydrazones as organometallic equivalents have emerged as a general and sustainable strategy to utilize naturally abundant aldehydes and ketones as feedstocks while only releasing water and nitrogen gas as byproducts. Yet the addition of these carbanion equivalents to carbonyl compounds has been limited to the use of precious metals as catalysts and hazardous solvents under an inert atmosphere. Herein, we report the development of a manganese-based catalyst system for the addition of aldehydes to carbonyl compounds producing secondary and tertiary alcohols with yields of up to 91%.

MESSI: A New Method for Stereochemical Assignment of Flexible and Polyhydroxylated Molecules

The use of NMR methods based on quantum mechanics to complement and guide the assignment of connectivity and stereochemistry of natural and artificial products has grown significantly. One of the unresolved challenges relates to the incorrect calculation of the conformational map of flexible molecules containing functional groups capable of generating a complex network of intramolecular hydrogen bond (IHB) interactions.

DP4+ APP: Simplifying In Silico Structural Elucidation. Scope and Advantages of Each Correlation Method

A novel statistical correlation method, MM-DP4+, was developed to enhance NMR-based molecular structure elucidation by significantly reducing computational costs through the use of MM-optimized geometries. A comprehensive evaluation of 36 theory levels identified SMD/ωB97XD/6-31+G**//MMFF as the most accurate and cost-effective approach, achieving 91% accuracy in stereochemical assignments. A Python-based software, DP4+App, was created to streamline the implementation of DP4+, MM-DP4+, and customizable DP4+ calculations via a user-friendly interface.

Research between Science, Society and Politics: The History and Scientific Development of Green Chemistry

The scientific character of green chemistry has been a matter of dispute since its inception. This book aims to clarify that dispute. Author Johan Alfredo Linthorst presents a historical analysis of the birth and evolution of green chemistry, with a special focus on the USA, the UK and the Netherlands and the chemical societies in these countries.

An overview: origins and development of green chemistry

This article provides an overview of the origins and development of green chemistry. Aiming to contribute to the understanding of green chemistry, basically from a historical point of view, this overview argues that contextual influences and the user friendliness of the term are drivers for the explosive growth of green chemistry. It is observed that political support for its development has been significant, in which the Pollution Prevention Act of 1990 was a formal political starting-point, but informally the origins of green chemistry go back to before 1990.