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Uncatalyzed and Amine Catalyzed Decarboxylation of Acetoacetic Acid: An Examination in Terms of No Barrier Theory

✍ Scribed by J.Peter Guthrie

Book ID: 102565633
Publisher: Elsevier Science
Year: 2002
Tongue: English
Weight: 101 KB
Volume: 30
Category: Article
ISSN: 0045-2068
DOI: 10.1006/bioo.2001.1231

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✦ Synopsis

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 mechanisms of decarboxylation of both acetoacetic acid and its imine involve preequilibrium formation of the zwitterion. ᭧ 2002 Elsevier Science (USA)

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