| 143049-34-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 143049-34-7
• 化学式: C₇₆H₁₁₂O₁₀
• 分子量: 1185.72
• InChiKey: FIGQQLHBZQMOGF-DDMMZKBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.54
• 重原子数：
  86.0
• 可旋转键数：
  40.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  114.3
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  溴氯甲烷 、 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 96.0h， 以71%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
• 作为产物：
  描述：

  生成
  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