Acta Chimica Sinica ›› 2003, Vol. 61 ›› Issue (3): 445-449. Previous Articles     Next Articles

Original Articles

α,α-二取代环十二酮的构象

王明安;马祖超;路慧哲;王道全   

  1. 中国农业大学应用化学学院
  • 发布日期:2003-03-15

Conformation of α,α-Disubstituted Cyclododecanones

Wang Mingan;Ma Zuchao;Lu Huizhe;Wang Daoquan   

  1. Colloge of Applied Chemistry,China Agricultural University
  • Published:2003-03-15

The conformation of α,α-disubstituted Cyclododecanones have been studied by means of molecular dynamics computations, 1H NMR and X-ray diffraction analysis. The results indicate that their preferred conformation of ring skeleton is still [3333], with the carbonyl group present in the 2-C position. Both in the crystal and solution, the preferred conformation of α, α-disubstituted Cyclododecanones is α- corner- syn-, α-corner-oraft-disubstituted [3333]-2-one conformation. The first substituted group presents at α -corner- and position, while the second group is at α -corner- syn position.

Key words: cyclododecanone P, CONFORMATION, 1HNMR, XRD, MOLECULAR MECHANICS

CLC Number: