| 143049-32-5

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 143049-32-5
• 化学式: C₇₈H₁₁₀N₂O₈
• 分子量: 1203.74
• InChiKey: BRJXYJXLBBDFRH-PFLBOCSKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.87
• 重原子数：
  88.0
• 可旋转键数：
  40.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  121.42
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  氰化亚铜 、 以 various solvent(s) 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Selective functionalization of cavitands: synthesis of a new hemicarcerand

  摘要：

  Partly bridged cavitands 2 and 4 can be selectively debrominated in one step by treatment with.5 equiv of n-BuLi in THF to afford the corresponding dibromo derivatives 5 and 6 in 90% and 77% yield, respectively. After incorporation of the fourth bridge, the remaining two bromines can be replaced by CN to give 9 (>95%), C(O)OMe to give 10 (60%) or OH to give 11 (62%). Two molecules of 11 were coupled with CH2BrCl in DMSO/THF under high dilution conditions to give new hemicarcerand 12 in 71% yield.

  DOI：

  10.1016/s0040-4039(00)92093-8