International Journal of Molecular Sciences | |
Acetic Acid-Catalyzed Formation of |
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Ohgi Takahashi1  Ryota Kirikoshi2  Noriyoshi Manabe2  | |
[1] Faculty of Pharmaceutical Sciences, Tohoku Pharmaceutical University, 4-4-1 Komatsushima, Aoba-ku, Sendai 981-8558, Japan; | |
关键词:
phthalanilic acid;
intramolecular cyclization;
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DOI : 10.3390/ijms160612174 | |
来源: mdpi | |
【 摘 要 】
In glacial acetic acid, phthalanilic acid and its monosubstituents are known to be converted to the corresponding phthalimides in relatively good yields. In this study, we computationally investigated the experimentally proposed two-step (addition-elimination or cyclization-dehydration) mechanism at the second-order Møller-Plesset perturbation (MP2) level of theory for the unsubstituted phthalanilic acid, with an explicit acetic acid molecule included in the calculations. In the first step, a
【 授权许可】
CC BY
© 2015 by the authors; licensee MDPI, Basel, Switzerland.
【 预 览 】
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