Ab Initio Molecular Orbital Study of Reactivity of Active Alkyl Groups.IV. Nitrosation of Acyclic Carbonyl Compound with Methyl Nitrite via "Open-Chain"Transition State

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概要

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• The mechanism of the nitrosation of enolate anion of acetone[CH_3COCH_2]^-(1)with methyl nitrite CH_3ONO(2)via an "open-chain"transition state without Na^+ in the C-N bond formation process was studied by the ab initio MO method. The complex[CH_3COCH_2NO(OCH_3)]^-(C-II)was first formed from the adduct(C-I)of 1 and 2 through the transition state(TS1). Finally, E-1-hydroxyimino-2-oxo-propane CH_3COCH=NOH(3E), together with Z-form(3Z), was obtained by way of the elimination process. It has become apparent that 3E is formed when C-II-A is produced in the C-N bond formation process.

• 公益社団法人日本薬学会の論文
• 2001-04-01

著者

• 池田 衡

  丸石製薬株式会社中央研究所

• 後藤 義久

  Faculty of Pharmaceutical Sciences Kanazawa University

• Niiya T

  Faculty Of Pharmaceutical Sciences Fukuoka University

• Yukawa M

  Fukuoka Univ. Fukuoka Jpn

• Yukawa Miho

  Faculty Of Pharmaceutical Sciences Fukuoka University

• Goto Yoshinobu

  Faculty Of Pharmaceutical Sciences Fukuoka University

• Goto Yoshinobu

  Department Of Clinical Neurophysiology Graduate School Of Medical Sciences Neurological Institute Fa

• Niiya Tokihiro

  Faculty Of Pharmaceutical Sciences Fukuoka University

• IKEDA Hirohito

  Faculty of Pharmaceutical Sciences, Fukuoka University

• Ikeda Hirohito

  Faculty Of Pharmaceutical Sciences Fukuoka University

• Yukawa Miho

  Faculty Of Pharmaceutical Fukuoka University

• Ikeda Hirohito

  Faculty Of Pharmaceutical Fukuoka University

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