4'-(4-methoxyphenyl)-2,2':6',2"-terpyridine dihydrobromide | 89972-80-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4'-(4-methoxyphenyl)-2,2':6',2"-terpyridine dihydrobromide
• 英文别名: MPTP*2HBr；4-(4-Methoxyphenyl)-2,6-dipyridin-2-ylpyridine;hydrobromide；4-(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridine;hydrobromide
• CAS: 89972-80-5
• 化学式: 2BrH*C₂₂H₁₇N₃O
• 分子量: 501.22
• InChiKey: FOVASNPXEPSLKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4'-(4-甲氧基苯基)-2,2':6',2''-三吡啶 在 氢溴酸 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 4'-(4-methoxyphenyl)-2,2':6',2"-terpyridine dihydrobromide
  参考文献：
  名称：

  Ultrasound-promoted hydrogelation of terpyridine derivatives

  摘要：

  事实证明，双质子化形式的萜吡啶衍生物在超声波辐照下是一种多功能水凝胶剂。萜吡啶配体的螯合能力可捕获金属阳离子，从而形成具有可调发射特性的稳定凝胶。

  DOI：

  10.1039/c0nj00391c

文献信息

• Ultrasound-promoted hydrogelation of terpyridine derivatives
  作者：Letizia Sambri、Fabio Cucinotta、Gabriele De Paoli、Stefano Stagni、Luisa De Cola

  DOI：10.1039/c0nj00391c

  日期：——

  Terpyridine derivatives proved to be versatile hydrogelators when subjected to ultrasound irradiation in their bis-protonated form. The chelating ability of the terpyridine ligands allows for the capture of metal cations resulting in stable gels with tunable emissive properties.

  事实证明，双质子化形式的萜吡啶衍生物在超声波辐照下是一种多功能水凝胶剂。萜吡啶配体的螯合能力可捕获金属阳离子，从而形成具有可调发射特性的稳定凝胶。
• Intriguing π⁺−π Interaction in Crystal Packing
  作者：Amrita Das、Atish Dipankar Jana、Saikat Kumar Seth、Biswajit Dey、Somnath Ray Choudhury、Tanusree Kar、Subrata Mukhopadhyay、N. Jiten Singh、In-Chul Hwang、Kwang S. Kim

  DOI：10.1021/jp910129u

  日期：2010.4.1

  The pi(+)-pi interactions are utilized to design the solid-state assembly of host-guest complexes where guests are anions. The doubly protonated MPTPH2 (MPTP = 4'-(4-methoxyphenyl)-2,2':6', 2 ''-terpyridine) complexed with H2O and Cl- or Br- are synthesized, crystallized, and characterized by X-ray analysis. By using the density functional theory calculations which can properly describe the dispersion energy, the assembling phenomena are analyzed in terms of pi(+)-pi and pi-pi interactions as well as H-bonding interactions. The planar structure of MPTPH2(Cl)(2)center dot 2H(2)O or MPTPH2(Br)(2)center dot 2H(2)O facilitates the crystal packing, since the interactions play in important role in the solid-state assembly.