Isomerisation versus carbonylative pathways in the hydroxy-carbonylation, methoxy-carbonylation, and amino-carbonylation of N -tosyl-3-pyrroline

DFT calculations show that the competition between carbonylation and isomerisation pathways using Pd/phosphine catalysts can be steered toward the desired carbonylation using less bulky ligands. Thus, the normally less effective phanephos family forms carbonylation products with good ee.