Journal
JOURNAL OF FLUORINE CHEMISTRY
Volume 150, Issue -, Pages 53-59Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jfluchem.2013.02.026
Keywords
Difluorocarbene; Diphenylmethylene triphenylphosphonium ylide; 1,1-Difluoroalkenes; DFT calculations
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Under moderate conditions in the presence of a demethylating reagent, such as iodide, methyl 2,2,-difluoro-2-(fluorosulfonyl)acetate (MDFA) releases difluorocarbene, which in the presence of triphenylphosphine forms difluoromethylene triphenylphosphonium ylide. When the process is carried out also in the presence of aldehydes or activated ketones, the ensuing in situ Wittig-type reaction of the ylide with the carbonyl reactants produces 1,1-difluoroalkenes in good yield. Density Functional Theory calculations were used to provide new estimates of the energies and structures of singlet and triplet states of CH2:, CHF:, and CF2: carbenes, as well as those of their respective triphenylphosphonium ylides. (C) 2013 Elsevier B.V. All rights reserved.
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