(pentaphenoxy)(4-[2,6-terpyridin-4-yl]phenoxy)cyclotriphosphazene | 1385697-68-6

• 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: (pentaphenoxy)(4-[2,6-terpyridin-4-yl]phenoxy)cyclotriphosphazene
• 英文别名: 2-[4-(2,6-Dipyridin-2-ylpyridin-4-yl)phenoxy]-2,4,4,6,6-pentaphenoxy-3-aza-1,5-diazanida-4lambda5-phospha-2,6-diphosphoniacyclohex-3-ene；2-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenoxy]-2,4,4,6,6-pentaphenoxy-3-aza-1,5-diazanida-4λ5-phospha-2,6-diphosphoniacyclohex-3-ene
• CAS: 1385697-68-6
• 化学式: C₅₁H₃₉N₆O₆P₃
• 分子量: 924.829
• InChiKey: DPYKGCXRQQSSLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  66
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  ruthenium(III) chloride trihydrate 、 (pentaphenoxy)(4-[2,6-terpyridin-4-yl]phenoxy)cyclotriphosphazene 在 N-乙基吗啉 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以89%的产率得到
  参考文献：
  名称：

  Terpyridine and 2,6-di(1H-pyrazol-1-yl)pyridine substituted cyclotri- and polyphosphazene ruthenium(II) complexes: Chemical and physical behaviour

  摘要：

  The synthesis of a series of cyclotriphosphazene and polyphosphazene ruthenium(II) compounds is reported using 2,2 ':6 ',2 ''-terpyridine (terpy) and 2,6-di(1H-pyrazol-1-yl)pyridine (bpp) pendant ligands. X-ray crystallography, UV-Vis and resonance Raman spectroscopy have been employed to gain an insight into the physical and coordination behaviour of these complexes and indicate that both the small molecule and their polymeric analogues contain coordinated Ru in an octahedral 'N-6' environment. The results reveal a difference between the chemistry of the ruthenium(II)-bpp-terpy and ruthenium(II)-bis-terpy complexes and demonstrate a means of grafting functional groups to a polyphosphazene backbone under mild conditions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.08.060

文献信息

• Toward an Iron(II) Spin-Crossover Grafted Phosphazene Polymer
  作者：Ross J. Davidson、Eric W. Ainscough、Andrew M. Brodie、Geoffrey B. Jameson、Mark R. Waterland、Harry R. Allcock、Mark D. Hindenlang、Boujemaa Moubaraki、Keith S. Murray、Keith C. Gordon、Raphael Horvath、Guy N. L. Jameson

  DOI：10.1021/ic300853f

  日期：2012.8.6

  and L2P, were synthesized. These ligands were used to form iron(II) complexes with an FeIITerpy2 core. Variable-temperature resonance Raman, UV–visible, and Mössbauer spectroscopies with magnetic measurements aided by density functional theory calculations were used to understand the physical characteristics of the complexes. By a comparison of measurements, the polymers were shown to behave in the

  具有2,2'：6'，2''-吡啶（Terpy）侧基的两个新的环三磷腈配体，即（五苯氧基）4- [2,6-双（2-吡啶基）]吡啶氧基}环三磷腈（L 1）合成了（五苯氧基）4- [2，6-叔吡啶-4-基]苯氧基}环三磷腈（L 2），以及它们各自的聚合物类似物L 1P和L 2P。这些配体用于与Fe II Terpy 2形成铁（II）配合物。核。在密度泛函理论计算的帮助下，借助磁测量的变温共振拉曼光谱，紫外可见光谱和莫斯鲍尔光谱学被用来理解络合物的物理特性。通过测量比较，显示聚合物表现出与环三磷腈类似物相同的方式。结果表明，通过延长配体的间隔区长度至L 2和L 2P中的间隔区长度，可以诱导自旋交叉（SCO）在高温下开始。这种结合为形成可延展的SCO材料提供了一条途径。
• Terpyridine and 2,6-di(1H-pyrazol-1-yl)pyridine substituted cyclotri- and polyphosphazene ruthenium(II) complexes: Chemical and physical behaviour
  作者：Ross J. Davidson、Eric W. Ainscough、Andrew M. Brodie、Geoffrey B. Jameson、Mark R. Waterland、Harry R. Allcock、Mark D. Hindenlang

  DOI：10.1016/j.poly.2014.08.060

  日期：2015.1

  The synthesis of a series of cyclotriphosphazene and polyphosphazene ruthenium(II) compounds is reported using 2,2 ':6 ',2 ''-terpyridine (terpy) and 2,6-di(1H-pyrazol-1-yl)pyridine (bpp) pendant ligands. X-ray crystallography, UV-Vis and resonance Raman spectroscopy have been employed to gain an insight into the physical and coordination behaviour of these complexes and indicate that both the small molecule and their polymeric analogues contain coordinated Ru in an octahedral 'N-6' environment. The results reveal a difference between the chemistry of the ruthenium(II)-bpp-terpy and ruthenium(II)-bis-terpy complexes and demonstrate a means of grafting functional groups to a polyphosphazene backbone under mild conditions. (C) 2014 Elsevier Ltd. All rights reserved.