Chloroform as a hydrogen atom donor in Barton reductive decarboxylation reactions

…, J Zheng, R Meana-Pañeda, DG Truhlar…

Index: Ho, Junming; Zheng, Jingjing; Meana-Paneda, Ruben; Truhlar, Donald G.; Ko, Eun Jung; Savage, G. Paul; Williams, Craig M.; Coote, Michelle L.; Tsanaktsidis, John Journal of Organic Chemistry, 2013 , vol. 78, # 13 p. 6677 - 6687

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Citation Number: 12

Abstract

The utility of chloroform as both a solvent and a hydrogen atom donor in Barton reductive decarboxylation of a range of carboxylic acids was recently demonstrated (Ko, EJ et al. Org. Lett. 2011, 13, 1944). In the present work, a combination of electronic structure calculations, direct dynamics calculations, and experimental studies was carried out to investigate how chloroform acts as a hydrogen atom donor in Barton reductive decarboxylations and to ...