| 1030380-63-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1030380-63-2
• 化学式: BrH*C₃₆H₃₃NO₃
• 分子量: 608.575
• InChiKey: JQZJELHNFNTXIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.56
• 重原子数：
  41.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  30.93
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  tris[2-(1-naphthalenyloxy)ethyl]amine 在 四丁基溴化铵 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 1.0h， 以88%的产率得到
  参考文献：
  名称：

  Tripodal naphthalene ether ligand: Solid-state anion recognition and fluorescence studies

  摘要：

  The simple tripodal amine ligand Tris-[2-(naphthalen-1-yloxy)-etliyl]-amine (L-1) was screened for anion recognition. Four crystal structures confirmed the inorganic as well as organic anion recognition in the solid state. Solid-state structures are results of supramolecular self-assembly and 3D molecular network involves C-H center dot center dot center dot O and C-H center dot center dot center dot pi bonding in the crystal lattice. In the solid state, it forms a strong C-H center dot center dot center dot Cl and C-H center dot center dot center dot O type interactions with the anions. This anion recognition was also confirmed by steady state fluorescence spectroscopy. In complex 4, L-1 is confined between 2D hydrogen bonded sheet formed by pyromellitic acid anion. L-1 shows unusually high selectivity toward nitrate in solution resulting in both a dramatic color change and a concomitant quenching of luminescence. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.08.016