Studies on the 1,4-Oxazepine Ring Formation Reaction Using the Molecular Orbital Method

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概要

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• 1,4-Oxazepine formation reactions of 1,8-naphthyridine derivatives (1-4) with peroxy acid have been studied using a semiempirical MO method (AM1) and an ab initio molecular orbital method (Gaussian 94). The energies of molecules involved in the reaction paths were calculated and the transition states related to experimental products were obtained. For the reactions of 1-3,the calculated energies of the transition states predicted the previously obtained products. However, the calculated values for the reaction of 4 suggested a different type of oxazepine compound, which was verified in further experiments.

• 公益社団法人日本薬学会の論文
• 2000-05-01

著者

• HATANO Keiichiro

  Faculty of Pharmaceutical Sciences, Nagoya City University

• Takeuchi I

  Faculty Of Pharmacy Meiji University

• Takeuchi Isao

  Faculty Of Pharmacy Meijo University

• Hamada Y

  Faculty Of Pharmacy Meijo University

• MATSUZAKI Hisao

  Tohoku Pharmaceutical University

• Hatano Keiichiro

  Faculty Of Pharmaceutical Sciences Nagoya City University

• HAMADA Yoshiki

  Faculty of Pharmacy, Meijo University

• Matsuzaki H

  Tohoku Pharmaceutical University

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