4-Nitro-2-[2-[[19,25,31,36-tetratert-butyl-41-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethyliminomethyl]phenol | 1159269-69-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Nitro-2-[2-[[19,25,31,36-tetratert-butyl-41-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethyliminomethyl]phenol
• CAS: 1159269-69-8
• 化学式: C₆₆H₇₈N₄O₁₃S₄
• 分子量: 1263.63
• InChiKey: KUAIREMNMWQPFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  87
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  323
• 氢给体数：
  2
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  5,11,17,23-tetra-tert-butyl-syn-25,27-bis(2-aminoethoxy)-26,28-tetraethylenecrown-5-thiacalix[4]arene 、 5-硝基水杨醛 以 甲醇 、 氯仿 为溶剂， 反应 24.0h， 以84%的产率得到4-Nitro-2-[2-[[19,25,31,36-tetratert-butyl-41-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethoxy]-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23(41),24,26,30,34,36,38(40)-dodecaen-40-yl]oxy]ethyliminomethyl]phenol
  参考文献：
  名称：

  A Molecular Keypad Lock Based on the Thiacalix[4]arene of 1,3-Alternate Conformation

  摘要：

  A chemosensor based on the thiacalix[4]arene of 1,3-alternate conformation has been designed and synthesized. The binding behavior of this chemosensor has been studied toward different metal ions by fluorescence spectroscopy, and it was observed that the chemosensor selectively senses Cu2+ ions. The chemical inputs of Cu2+ and F- in a sequential manner generate an output which mimics the functions of a security keypad lock.

  DOI：

  10.1021/ol900845g