Mechanistic insights into ring-opening and decarboxylation of 2-pyrones in liquid water and tetrahydrofuran

M Chia, MA Haider, G Pollock III, GA Kraus…

Index: Chia, Mei; Haider, M. Ali; Pollock, Gerald; Kraus, George A.; Neurock, Matthew; Dumesic, James A. Journal of the American Chemical Society, 2013 , vol. 135, # 15 p. 5699 - 5708

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Citation Number: 17

Abstract

2-Pyrones, such as triacetic acid lactone, are a promising class of biorenewable platform chemicals that provide access to an array of chemical products and intermediates. We illustrate through the combination of results from experimental studies and first-principle density functional theory calculations that key structural features dictate the mechanisms underlying ring-opening and decarboxylation of 2-pyrones, including the degree of ring ...