| 1594100-95-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• CAS: 1594100-95-4
• 化学式: C₈₆H₉₂N₄O₁₂
• 分子量: 1373.7
• InChiKey: BQEKNRBEPXQLEB-UHFFFAOYSA-N

物化性质

• 熔点：
  340 °C
• 密度：
  1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  102.0
• 可旋转键数：
  20.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  205.7
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  、 copper(II) perchlorate 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Calix[4]arene based molecular probe for sensing copper ions

  摘要：

  A novel calix[4]arene based molecular probe for metal ions has been designed, synthesized and evaluated. Studies on its binding with different metal ions reveal a noticeable naked eye color change, bathochromic shift in absorption spectrum and remarkable enhancement in fluorescence emission in the presence of Cu2+ only. The role of calix[4]arene scaffold for selective recognition of Cu2+ has been demonstrated by repeat evaluation and analysis of an appropriate reference molecule. A rational explanation for fluorescence enhancement in (3) under bar on interaction with copper has been suggested. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.021
• 作为产物：
  描述：

  bis(4-formylphenylpropyloxy)-p-tert-butylcalix[4]arene 、 7-甲氧基香豆素-4-腙 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以71%的产率得到
  参考文献：
  名称：

  Calix[4]arene based molecular probe for sensing copper ions

  摘要：

  A novel calix[4]arene based molecular probe for metal ions has been designed, synthesized and evaluated. Studies on its binding with different metal ions reveal a noticeable naked eye color change, bathochromic shift in absorption spectrum and remarkable enhancement in fluorescence emission in the presence of Cu2+ only. The role of calix[4]arene scaffold for selective recognition of Cu2+ has been demonstrated by repeat evaluation and analysis of an appropriate reference molecule. A rational explanation for fluorescence enhancement in (3) under bar on interaction with copper has been suggested. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.021