5,17-di(N-tert-butylhydroxyamine)-11,23-dibromo-25,26,27,28-tetrapropoxycalix[4]arene | 927959-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,17-di(N-tert-butylhydroxyamine)-11,23-dibromo-25,26,27,28-tetrapropoxycalix[4]arene
• 英文别名: 5,17-bis(N-tert-butylhydroxyamine)-11,23-dibromo-25,26,27,28-tetrapropoxycalix[4]arene；N-tert-butyl-N-[11,23-dibromo-17-[tert-butyl(hydroxy)amino]-25,26,27,28-tetrapropoxy-5-pentacyclo[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-dodecaenyl]hydroxylamine
• CAS: 927959-99-7
• 化学式: C₄₈H₆₄Br₂N₂O₆
• 分子量: 924.854
• InChiKey: QTQGGKJBAATEEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  58
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,17-di(N-tert-butylhydroxyamine)-11,23-dibromo-25,26,27,28-tetrapropoxycalix[4]arene 在 lead dioxide 作用下， 以 苯 为溶剂， 反应 24.0h， 以53%的产率得到5,17-di(N-tert-butylaminoxyl)-11,23-dibromo-25,26,27,28-tetrapropoxycalix[4]arene
  参考文献：
  名称：

  Syntheses and spin–spin exchange interactions of calix[4]arene biradicals

  摘要：

  Three novel paramagnetic calix[4]arenes (2, 3 and 4) with two opposite nitroxide radicals on the upper rims were synthesized and characterized. The through-space spin-spin exchange interactions of these calixarene biradicals were investigated, and found to be affected by many factors, such as molecular conformational flexibility, steric hindrance, temperature, solvent effect and complexation of silver ion. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.12.012
• 作为产物：
  描述：

  亚硝基叔丁烷 、 5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxycalix[4]arene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 以24%的产率得到5,17-di(N-tert-butylhydroxyamine)-11,23-dibromo-25,26,27,28-tetrapropoxycalix[4]arene
  参考文献：
  名称：

  Syntheses and spin–spin exchange interactions of calix[4]arene biradicals

  摘要：

  Three novel paramagnetic calix[4]arenes (2, 3 and 4) with two opposite nitroxide radicals on the upper rims were synthesized and characterized. The through-space spin-spin exchange interactions of these calixarene biradicals were investigated, and found to be affected by many factors, such as molecular conformational flexibility, steric hindrance, temperature, solvent effect and complexation of silver ion. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2007.12.012