tris[2-(1-naphthalenyloxy)ethyl]amine | 275377-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tris[2-(1-naphthalenyloxy)ethyl]amine
• 英文别名: tris-[2-(naphthalen-1-yloxy)-ethyl]-amine；2-naphthalen-1-yloxy-N,N-bis(2-naphthalen-1-yloxyethyl)ethanamine
• CAS: 275377-18-9
• 化学式: C₃₆H₃₃NO₃
• 分子量: 527.663
• InChiKey: VTYALPGIFKNWHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  30.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  三(2-氯乙基)胺 、 1-萘酚钠 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以41.5%的产率得到tris[2-(1-naphthalenyloxy)ethyl]amine
  参考文献：
  名称：

  摘要：

  Syntheses and crystal structures of tris[2-(1-naphthalenyloxy)ethyl]amine 1 and tris[2-(1-naphthalenyloxyl)ethyl] amine perchlorate 2 are reported. Compound 1 crystallizes in the rhombohedral system, space group R (3) over bar with a = 13.077(4), c = 29.011(8) Angstrom, and D-calc = 1.233g/cm(3) for Z = 6; compound 2 crystallizes in the cubic system, space group P2(1)3 with lattice parameters a = 14.630(5) Angstrom and D-calc = 1.332g/cm(3) for Z = 4. In 1, three naphthalene rings make dihedral angles of 109.21, 70.78, 70.78,degrees respectively. In 2 they make dihedral angles of 107.3, 72.7, 72.7 degrees respectively. Deviation of N from the plane (C(12),C(12)i,C(12)ii) in 1 is 0.3742 Angstrom which is less than that in (2) (-0.4223 Angstrom). The crystal structure is stabilized by van der Waals interactions in both compounds.

  DOI：

  10.1023/a:1009534213892