9-Oxabicyclo<3.3.1>non-1-en | 40164-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 9-Oxabicyclo<3.3.1>non-1-en
• 英文别名: 9-oxabicyclo[3.3.1]non-1-ene
• CAS: 40164-27-0
• 化学式: C₈H₁₂O
• 分子量: 124.183
• InChiKey: LXGBYCMXKGQVJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  9-oxabicyclo[3.3.1]nonan-1-ol 在 2,6-di-tert-butylphenoxide anion 作用下， 生成 9-Oxabicyclo<3.3.1>non-1-en
  参考文献：
  名称：

  Heats of hydrogenation of some vinyl ethers and related compounds

  摘要：

  DOI：

  10.1021/jo00317a003

文献信息

• Detert, Heiner; Antony-Mayer, Christina; Meier, Herbert, Angewandte Chemie, 1992, vol. 104, # 6, p. 755 - 757
  作者：Detert, Heiner、Antony-Mayer, Christina、Meier, Herbert

  DOI：——

  日期：——
• Heats of hydrogenation of some vinyl ethers and related compounds
  作者：N. L. Allinger、John A. Glaser、H. E. Davis、Donald W. Rogers

  DOI：10.1021/jo00317a003

  日期：1981.2
• Transformation of Hydroxycycloalkanones to Oxabicycloalkenes
  作者：Herbert Meier、Guido Krämer、Heiner Detert

  DOI：10.3987/com-09-11728

  日期：——

  Oxabicycloalkenes, which represent anti-Bredt enol ethers, can be generated by catalytic dehydration of the hemiacetals of hydroxycycloalkanones (Method I). Another option is provided by the transformation of hydroxycycloalkanones to the corresponding 1,2,3-selenadiazoles and their thermal fragmentation on Cu powder (Method II). The intermediate hydroxycycloalkynes show a transannular addition of the OH group to the triple bond. Altogether seven new oxabicycloalk-1-enes were obtained by this methods.