Molecular Orbital Study of the Nitrosation of Active Methyl and Methylene Groups of Pyridine and Pyrimidine Derivatives

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概要

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• The reactivity of active methyl and methylene groups of nitrogen-containing hetero-aromatics with alkyl nitrite in the presence of an amide ion is discussed in terms of the charge transfer ability (CTA) values according to CNDO/2 as well as PPP calculations. Intermolecular perturbation energy calculation was also applied to interpret this nitrosation. The experimental results of nitrosation can be reasonably well interpreted in terms of the CTA values in the deprotonation step of this reaction. The binding energies of methylheteroaromatics are also discussed.

• 社団法人日本薬学会の論文
• 1980-04-25

著者

• 後藤 良宣

  福岡大学薬学部

• 坂本 尚夫

  Pharmaceutical Institute, Tohoku University

• 新矢 時寛

  Faculty of Pharmaceutical Sciences, Fukuoka University

• 新矢 時寛

  福岡大学薬学部

• 島田 良一

  九州大学理学部化学科

• 江角 清志

  Shionogi Research Laboratory, Shionogi and Co., Ltd.

• 島田 良一

  Department of Chemistry, Faculty of Science, Kyushu University

• 新矢 時寛

  福岡大・薬

• 島田 良一

  Department Of Chemistry Faculty Of Science Kyushu University

• 坂本 尚夫

  Pharmaceutical Institute Tohoku University

• 江角 清志

  Shionogi Research Laboratories Shionogi & Co. Ltd.

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