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Publication: Uncatalyzed and amine catalyzed decarboxylation of acetoacetic acid: an examination in terms of No Barrier Theory

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Title Uncatalyzed and amine catalyzed decarboxylation of acetoacetic acid: an examination in terms of No Barrier Theory
Authors/Editors* P. Guthrie
Where published* Bioorganic Chemistry
How published* None
Year* 2002
Volume 30
Number 0
Pages 32-50
Publisher xxxxx
Keywords
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Abstract
Rate constants for decarboxylation of acetoacetic acid, its anion, and its imine with aminoacetonitrile have been calculated from equilibrium constants and distortion energies using No Barrier Theory. The mechanism of decarboxylation of both acetoacetic acid and its imine involve pre-equilibrium formation of the zwitterion.
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