Theoretical study of rhodium- and cobalt-catalyzed decarboxylative transformations of isoxazolones: origin of product selectivity was written by Rong, Wei;Zhang, Tian;Li, Ting;Li, Juan. And the article was included in Organic Chemistry Frontiers in 2021.Related Products of 923-61-5 The following contents are mentioned in the article:
Divergent catalytic reactions provide access to diverse nitrogen-containing heterocycles through controlled catalysts. This study presents a computational study of rhodium- and cobalt-catalyzed decarboxylative transformations of isoxazolones. The calculations clarified the mechanistic details of the reaction and the origins of the catalyst controlled product selectivity. We identified a mechanism in which alkene insertion precedes CO2 elimination in rhodium- and cobalt-catalyzed decarboxylative transformations of isoxazolones. The kinetic feasibility of this mechanism is attributed to the avoidance of formation of a highly unstable four-membered rhodacycle intermediate. The reason for the formation of different products with the two metals lies in the different geometries of the metal centers in the key transition states. The energy barrier of C-N-bond-forming reductive elimination via the triplet state for the cobalt system is small because the distorted trigonal-bipyramidal coordination geometry of the transition state maximizes the overlap between the π* orbital of the N atom and the σ* orbital of the C atom. This study involved multiple reactions and reactants, such as (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5Related Products of 923-61-5).
(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate (cas: 923-61-5) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Related Products of 923-61-5
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts