| 143018-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 143018-01-3
• 化学式: C₇₅H₁₁₀Br₂O₈
• 分子量: 1299.5
• InChiKey: YDCYBTCGIOQQIN-HUOQVOSKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.33
• 重原子数：
  85.0
• 可旋转键数：
  40.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  95.84
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  溴氯甲烷 、 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以100%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：

  在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 0.02h， 以90%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