5,6,7,8,9,10-hexahydro-4H-cyclonona[d]selenadiazol-7-ol | 1192431-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,6,7,8,9,10-hexahydro-4H-cyclonona[d]selenadiazol-7-ol
• CAS: 1192431-42-7
• 化学式: C₉H₁₄N₂OSe
• 分子量: 245.183
• InChiKey: ZBOBLDHFYRKHGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.55
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6,7,8,9,10-hexahydro-4H-cyclonona[d]selenadiazol-7-ol 在 copper(l) iodide 作用下， 160.0~180.0 ℃ 、100.0 Pa 条件下， 以93%的产率得到5-Cyclononin-1-ol
  参考文献：
  名称：

  Transformation of Hydroxycycloalkanones to Oxabicycloalkenes

  摘要：

  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.

  DOI：

  10.3987/com-09-11728
• 作为产物：
  描述：

  [(5-Hydroxycyclononylidene)amino]urea 在 selenium(IV) oxide 作用下， 生成 5,6,7,8,9,10-hexahydro-4H-cyclonona[d]selenadiazol-8-ol 、 5,6,7,8,9,10-hexahydro-4H-cyclonona[d]selenadiazol-7-ol
  参考文献：
  名称：

  Transformation of Hydroxycycloalkanones to Oxabicycloalkenes

  摘要：

  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.

  DOI：

  10.3987/com-09-11728