5-bromo-25,26,27,28-tetramethoxycalix[4]arene | 546631-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-bromo-25,26,27,28-tetramethoxycalix[4]arene
• 英文别名: 5-Bromo-25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• CAS: 546631-13-4
• 化学式: C₃₂H₃₁BrO₄
• 分子量: 559.5
• InChiKey: GMFBDVQDZRXRRW-UHFFFAOYSA-N

物化性质

• 沸点：
  706.8±60.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-bromo-25,26,27,28-tetramethoxycalix[4]arene 在 正丁基锂 、 lead dioxide 作用下， 以 四氢呋喃 、 正己烷 、 苯 为溶剂， 反应 1.25h， 生成 5-(N-tert-butylaminoxyl)-25,26,27,28-tetramethoxycalix[4]arene
  参考文献：
  名称：

  Synthesis and ESR behaviors of nitroxide monoradical based on calix[4]arene

  摘要：

  A novel paramagnetic calix[4]arene 6 with an N-O monoradical on the upper rim was synthesized and studied by ESR spectroscopy. Its ESR behaviors were mainly induced by its intrinsic conformational flexibility. The effects of varying temperature and complexation of silver ions on its ESR behaviors were also investigated. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.034
• 作为产物：
  描述：

  5-bromo-25,26,27,28-tetrahydroxy-calix[4]arene 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 以68%的产率得到5-bromo-25,26,27,28-tetramethoxycalix[4]arene
  参考文献：
  名称：

  Synthesis and ESR behaviors of nitroxide monoradical based on calix[4]arene

  摘要：

  A novel paramagnetic calix[4]arene 6 with an N-O monoradical on the upper rim was synthesized and studied by ESR spectroscopy. Its ESR behaviors were mainly induced by its intrinsic conformational flexibility. The effects of varying temperature and complexation of silver ions on its ESR behaviors were also investigated. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.034