MNDO (Modified Neglect of Diatomic Overlap) Study of the Nucleophilic Substitution Reactions of Chloropyrimidines

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概要

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• In the case of the reaction of 2,4-dichloro-6-R-pyrimidines with methoxide anion, in which R is a methoxycarbonyl, chlorine, hydrogen, phenyl or methyl group, the replacement reaction of a chlorine atom with a methoxy group occurs predominantly at the 4-position, whereas the substitution takes place mainly at the 2-position when R is a methoxy group. The effect of the substituent at the 6-position on the reactivity of the chlorine atom of the chloropyrimidines was studied by using a semiempirical molecular orbital method (MNDO method). It was proved that the reaciton process from the reactants to the Meisenheimer-type complex plays an important role in determining the direction of the progress of the reaction.

• 公益社団法人日本薬学会の論文
• 1989-11-25

著者

• 湯川 美穂

  福岡大学薬学部

• 後藤 良宣

  福岡大学薬学部

• 坂本 尚夫

  Pharmaceutical Institute, Tohoku University

• 山中 宏

  Pharmaceutical Institute, Tohoku University

• 新矢 時寛

  Faculty of Pharmaceutical Sciences, Fukuoka University

• 後藤 良宣

  Faculty of Pharmaceutical Sciences, Fukuoka University

• 新矢 時寛

  福岡大学薬学部

• 吉澤 博

  Pharmaceutical Institute, Tohoku University

• 渡辺 敦子

  School Of Pharmaceutical Sciences Toho University

• 湯川 美穂

  Faculty of Pharmaceutical Sciences, Fukuoka University

• 吉沢 博

  Pharmaceutical Institute, Tohoku University

• 渡辺 敦子

  Pharmaceutical Institute, Tohoku University

• 新矢 時寛

  福岡大・薬

• 坂本 尚夫

  東北大院薬

• 後藤 良宣

  Faculty Of Pharmaceutical Sciences Fukuoka University

• 坂本 尚夫

  Pharmaceutical Institute Tohoku University

• 坂本 尚夫

  東北大学大学院薬学研究科

• 吉澤 博

  Pharmaceutical Institute Tohoku University

• 吉沢 博

  Pharmaceutical Institute Tohoku University

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