Density Functional Studies of 1,5-Cyclization of 3-Carbonyl Nitrile Ylide

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概要

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• Effects of substituents on 1,5-cyclization of 3-carbonyl nitrile ylide have been examined by density functional calculations using pBP/DN. Slow cyclization of 3-methoxycarbonyl nitrile ylide and reversible interconversion from 1-amino-3-methox-ycarbonyl nitrile ylide to 2-amino-5-methoxyoxazole have been explained based on the geometries for transition states and the energy differences between reactants and products.

• 和歌山県立医科大学の論文

著者

• 福島 和明

  和歌山県立医科大学化学教室

関連論文

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• Molecular Orbital Calculations on Ground State Nitrilium Betaines
• Density Functional Studies of 1,5-Cyclization of 3-Carbonyl Nitrile Ylide
• Ab Initio and Density Functional Studies of Nitrile Ylide and 3-Formyl Nitrile Ylide
• Nitrile Ylide Mechanism in Formal [3+2] Additions of Activated Oxazole

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