Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Theoretical Study on the [3,3]-Sigmatropic Rearrangement of Allylic Esters by Comparative Molecular Field Analysis (CoMFA)

  • Yoo, Sung-Eun (Korea Research Institute of Chemical Technology) ;
  • Cha, OKJa (Korea Research Institute of Chemical Technology)
  • Published : 1994.10.20
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Abstract

A comparative molecular field analysis (CoMFA) on the substituent effect of the palladium(Ⅱ) catalyzed [3,3]-sigmatropic rearrangement of allylic esters was studied to show a good correlation between the electrostatic property of substituents and the reaction rate. The CoMFA result suggests that the reaction rate will increase as the electron-donating ability of substituents increases.

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References

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