tetrakis([3-methyl-4-(pyridin-4-yl)phenoxy]methyl)methane | 1139907-90-6

• 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: tetrakis([3-methyl-4-(pyridin-4-yl)phenoxy]methyl)methane
• 英文别名: 4-[2-Methyl-4-[3-(3-methyl-4-pyridin-4-ylphenoxy)-2,2-bis[(3-methyl-4-pyridin-4-ylphenoxy)methyl]propoxy]phenyl]pyridine
• CAS: 1139907-90-6
• 化学式: C₅₃H₄₈N₄O₄
• 分子量: 804.989
• InChiKey: LNTIJWPTBUWUHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  61
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  88.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tetrakis([3-methyl-4-(pyridin-4-yl)phenoxy]methyl)methane 、 copper diacetate 以 甲醇 、 乙醇 为溶剂， 生成 [Cu(II)2(μ-acetate)4]2(tetrakis([3-methyl-4-(pyridin-4-yl)phenoxy]methyl)methane)
  参考文献：
  名称：

  Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)

  摘要：

  A series of new metal-organic frameworks have been constructed by the coordination of Cu(II) and Cu(I) with pentaerythrityl tetrakis(4-pyridyl) ether (1 = PETPE), a flexible tetradentate ligand. Networks derived from Cu(OOCCH3)(2), Cu(NO3)(2), and CuBF4 proved to have different topologies (diamondoid, PtS, and SrAl2, respectively). This reflects (1) the ability of PETPE (1) to adopt diverse conformations and (2) the varied geometries of complexes of Cu(II) and Cu(I). Extended PETPE (2), a tetrapyridine with phenyl spacers inserted into the pentaerythrityl core of PETPE (1), yielded an expanded version of the PtS network derived from simple PETPE (1) and Cu(NO3)(2). However, increases in the ability of the network to accommodate guests were largely offset by interpenetration of independent networks. Attempts to thwart interpenetration by converting ligand 2 into methyl-substituted derivative 3 led to the construction of networks with alternative topologies. In particular, the reactions of ligand 3 with both Cu(II) and Cu(I) yielded isostructural Pt3O4 networks, despite the preference of the two oxidation states for coordination spheres with different geometries. Together, these observations demonstrate that PETPE (1) and related compounds are useful ligands for constructing metal-organic frameworks, with a distinctive ability to accommodate a single metal in different oxidation states, as well as to adapt to a metal in a single oxidation state but with different counterions or secondary ligands.

  DOI：

  10.1021/ic8019809