5,11,17,23-Tetratert-butyl-26,28-bis[3-(pyren-1-ylmethylideneamino)propoxy]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-dodecaene-25,27-diol | 1309783-09-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 5,11,17,23-Tetratert-butyl-26,28-bis[3-(pyren-1-ylmethylideneamino)propoxy]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-dodecaene-25,27-diol
• 英文别名: 5,11,17,23-tetratert-butyl-26,28-bis[3-(pyren-1-ylmethylideneamino)propoxy]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-dodecaene-25,27-diol
• CAS: 1309783-09-2
• 化学式: C₈₄H₈₆N₂O₄
• 分子量: 1187.62
• InChiKey: VETLTYJGRZDYIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.1
• 重原子数：
  90
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,11,17,23-Tetratert-butyl-26,28-bis[3-(pyren-1-ylmethylideneamino)propoxy]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-dodecaene-25,27-diol 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以60%的产率得到5,11,17,23-Tetratert-butyl-26,28-bis[3-(pyren-1-ylmethylamino)propoxy]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-dodecaene-25,27-diol
  参考文献：
  名称：

  Synthesis and fluorescence sensing properties of novel pyrene-armed calix[4]arene derivatives

  摘要：

  Fluorogenic tert-butylcalix[4]arenes bearing two pyrene pendant groups at the lower rim were synthesized. Based on ratiometric changes of monomer and excimer emissions, the pyrene amine derivative of calix[4]arene has been found to act as a selective sensor for Pb2+ and Cu2+ ions, respectively, due to a conformational change upon chelation of these ions. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.035
• 作为产物：
  描述：

  1-芘甲醛 、 25,27-bis(3-aminopropoxy)-5,11,17,23-tetra-tert-butyl-26,28-dihydroxycalix[4]arene 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 以78%的产率得到5,11,17,23-Tetratert-butyl-26,28-bis[3-(pyren-1-ylmethylideneamino)propoxy]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-dodecaene-25,27-diol
  参考文献：
  名称：

  Synthesis and fluorescence sensing properties of novel pyrene-armed calix[4]arene derivatives

  摘要：

  Fluorogenic tert-butylcalix[4]arenes bearing two pyrene pendant groups at the lower rim were synthesized. Based on ratiometric changes of monomer and excimer emissions, the pyrene amine derivative of calix[4]arene has been found to act as a selective sensor for Pb2+ and Cu2+ ions, respectively, due to a conformational change upon chelation of these ions. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.035