Publication: Uncatalyzed and amine catalyzed decarboxylation of acetoacetic acid: an examination in terms of No Barrier Theory
All || By Area || By YearTitle | Uncatalyzed and amine catalyzed decarboxylation of acetoacetic acid: an examination in terms of No Barrier Theory | Authors/Editors* | P. Guthrie |
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Where published* | Bioorganic Chemistry |
How published* | None |
Year* | 2002 |
Volume | 30 |
Number | 0 |
Pages | 32-50 |
Publisher | xxxxx |
Keywords | |
Link | |
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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