Structural isomers of saligenin-based β2-agonists: synthesis and insight into the reaction mechanism

Abstract

The unexpected emergence of β-aryl-β-aminoethanol isomers in the reaction between aromatic β-halohydrin and amines was analyzed by experimental and computational methods.

Design, preparation and characterization of 7-hydroxy-4-methylcoumarin-based deep eutectic solvents

“…Grimme's empirical dispersion is a proven tool to account for R − 6 dependence of the dispersion interaction energy ( R is the interatomic distance) in the conformational study of complexes and reaction mechanisms. 75–79…”

“…Grimme's empirical dispersion is a proven tool to account for R À 6 dependence of the dispersion interaction energy (R is the interatomic distance) in the conformational study of complexes and reaction mechanisms. [75][76][77][78][79] In Tables S15-S22 (ESI †) are provided Cartesian coordinates of the top 5 and top 3 lowest energy structures of Lid:Cou:La and Lid:Cou:Le, respectively. Additionally, the complexes with the lowest interaction energy (see Table S23, ESI †) are displayed in Fig.…”

Single Electron Transfer Reductive Deuteration of Acyl Chlorides for the Synthesis of Deuterated Alcohols with a High Deuterium Atom Economy

“…Herein, we have developed a novel approach for the synthesis of deuterated alcohols with a high deuterium atom economy. Given the critical role of alcohols as intermediates in the synthesis of drugs and agrochemicals (Figure ), the cost-effective synthesis of deuterated alcohols with high deuterium incorporation and regioselectivity could potentially accelerate the development of innovative deuterated agrochemicals and drugs. , Particularly, because ethereal positions are susceptible to metabolic processes, the ethereal position deuterated compound derived from deuterated alcohols may increase its half-life. ,, …”