8-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(3-quinolin-8-yloxypropoxy)-2,8,14,20-tetrathiapentacyclo[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-dodecaen-25-yl]oxy]propoxy]quinoline | 947394-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(3-quinolin-8-yloxypropoxy)-2,8,14,20-tetrathiapentacyclo[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-dodecaen-25-yl]oxy]propoxy]quinoline
• CAS: 947394-60-7
• 化学式: C₈₈H₉₂N₄O₈S₄
• 分子量: 1461.98
• InChiKey: SOXBJFFVXAYORJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24
• 重原子数：
  104
• 可旋转键数：
  28
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  227
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  mercury(II) perchlorate 、 8-[3-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(3-quinolin-8-yloxypropoxy)-2,8,14,20-tetrathiapentacyclo[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-dodecaen-25-yl]oxy]propoxy]quinoline 以 氘代氯仿 、 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  A New Hg²⁺-Selective Fluorescent Sensor Based on a 1,3-Alternate Thiacalix[4]arene Anchored with Four 8-Quinolinoloxy Groups

  摘要：

  A new thiacalix [4]arene derivative in a 1,3-alternate conformation bearing four quinolinoloxy groups through propyl chains has been synthesized, and its metal ion-binding and fluorescence-sensing properties were investigated in both THF and 10% H2O-THF systems. The designed ligand exhibited pronounced Hg2+-selective on-off type fluoroionophoric properties among the representative transition and heavy metal ions including Cu2+. The detection limit for Hg2+ was found to be 2.0 x 10(-6) M in the mixed H2O-THF system. Detailed spectral studies including H-1 NMR and MALDI-TOF mass spectroscopy reveal the unusual formation of a tetramercury complex with the ligand, in which the four propyl arms containing the quinolinoloxy groups adopt a "tetrapodand" conformation enclosing one Hg2+ ion each in the four cavities thus formed.

  DOI：

  10.1021/ic070259j