5,5'-dibromo-2,2'-bis([(2'-benzylaminoformyl)phenoxyl]ethoxyl)-1,1'-biphenylene | 1142173-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,5'-dibromo-2,2'-bis([(2'-benzylaminoformyl)phenoxyl]ethoxyl)-1,1'-biphenylene
• 英文别名: N-benzyl-2-[2-[2-[2-[2-[2-(benzylcarbamoyl)phenoxy]ethoxy]-5-bromophenyl]-4-bromophenoxy]ethoxy]benzamide
• CAS: 1142173-17-8
• 化学式: C₄₄H₃₈Br₂N₂O₆
• 分子量: 850.604
• InChiKey: MWGNPUUHZYNYOD-UHFFFAOYSA-N

物化性质

• 沸点：
  921.4±65.0 °C(predicted)
• 密度：
  1.401±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  54
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  甲醇 、 neodymium(III) nitrate hexahydrate 、 5,5'-dibromo-2,2'-bis([(2'-benzylaminoformyl)phenoxyl]ethoxyl)-1,1'-biphenylene 以 甲醇 、 乙酸乙酯 为溶剂， 生成 [Nd(5,5'-dibromo-2,2'-bis([(2'-benzylaminoformyl)phenoxyl]ethoxyl)-1,1'-biphenylene)(NO3)3(CH3OH)]*CH3OH
  参考文献：
  名称：

  Influence of Conformational Flexibility on Self-Assembly and Luminescence Properties of Lanthanide Coordination Polymers with Flexible exo-Bidentate Biphenol Derivatives

  摘要：

  To explore how nonplanar conformational distortions affect supramolecular self-assembly and properties of lanthanide complexes, we have designed and synthesized two new flexible exo-bidentate ligands derived from biphenol featuring two salicylamide pendant arms, 2,2'-bisf{[(2'-benzylaminoformyl)phenoxyl]ethoxyl}-1,1'-biphenylene (L-1) and 5,5'dibromo-2,2'-bis{[(2'-benzylaminoformyl)phenoxyl]ethoxyl}-1,1'-biphenylene (L-II). These two structurally related ligands can have different conformations and are used for constructing diverse lanthanide polymers with interesting luminescence properties. Among two series of lanthanide nitrate complexes which have been characterized by elemental analysis, X-ray powder diffraction, and IR spectroscopy, four new coordination polymers have been determined using X-ray diffraction analysis. The coordination polymer type {Ln(2)(NO3)(6)(L-1)(3)center dot 3H(2)O}(infinity) (Ln = Nd, Sm, Eu, Gd, Tb or Dy) displays a two- dimensional honeycomb-like framework in the ab plane, which can be regarded as a (6,3) topological network with neodymium atoms acting as "three-connected" centers. In contrast, the coordination polymer types {[Nd(NO3)(3)(L-II)(CH3OH)]center dot CH3OH)(infinity) and [Ln(NO3)(3)(L-II)(C2H5OH)](infinity) (Ln = Sm, Eu, Gd, Tb or Dy) possess single-stranded helix chains which can be further connected through intermolecular hydrogen bonds to form two-dimensional supramolecular sheets. The photophysical properties of trivalent Sm, Eu, Tb, and Dy complexes at room temperature were investigated. The present work substantiates the claim that the supramolecular structure as well as the luminescence properties of the coordination polymer can be tuned by controlling the conformational distortion of a nonplanar flexible ligand in the supramolecular self-assembly.

  DOI：

  10.1021/ic802060e