The Three??Component Biginelli Reaction: A Combined Experimental and Theoretical Mechanistic Investigation

…, ET da Penha, H Milagre, SJ Garden…

Index: De Souza, Rodrigo O.M.A.; Da Penha, Eduardo T.; Milagre, Humberto M.S.; Garden, Simon J.; Esteves, Pierre M.; Eberlin, Marcos N.; Antunes, Octavio A.C. Chemistry - A European Journal, 2009 , vol. 15, # 38 p. 9799 - 9804

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Citation Number: 64

Abstract

Abstract Biginelli reactions have been monitored by direct infusion electrospray ionization mass spectrometry (ESI-MS) and key cationic intermediates involved in this three- component reaction have been intercepted and further characterized by tandem MS experiments (ESI-MS/MS). Density functional theory calculations were also used to investigate the feasibility of the major competing mechanisms proposed for the Biginelli ...