(Cu(II)(4,4'-trimethylenedipyridine)(1,3-phenylenediacetate))n | 1241820-00-7

• 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: (Cu(II)(4,4'-trimethylenedipyridine)(1,3-phenylenediacetate))n
• 英文别名: (Cu(tmdp)(1,3-pda))n
• CAS: 1241820-00-7
• 化学式: C₁₀H₈O₄*C₁₃H₁₄N₂*Cu
• 分子量: 453.985
• InChiKey: WHKYXLYVZLMFLT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4,4'-(1,3-丙二基)双吡啶 、 1,3-苯二乙酸 、 copper(II) nitrate trihydrate 以 乙醇 、 水 为溶剂， 以65%的产率得到(Cu(II)(4,4'-trimethylenedipyridine)(1,3-phenylenediacetate))n
  参考文献：
  名称：

  Synthesis and structures of CoII, NiII, and CuII coordination frameworks formed by a flexible 1,3-phenylenediacetic acid ligand

  摘要：

  Three new compounds of Co-II, Ni-II and Cu-II with a flexible dicarboxylate building block 1,3-phenylenediacetate, along with 4,4'-bipyridine, or 4,4'-trimethylenedipyridine co-ligands, with the formula {[Co-2(4,4'-bipy)(2)(1,3-pda)(2)]center dot 1.5H(2)O}(n) (1), {Ni(4,4'-bipy)(1,3-pdaH)(2)(CH3CH2OH)(2)}(n) (2), and {Cu(tmdp)(1,3-pda)}(n) (3), (where, 1,3-pda = 1,3-phenylenediacetate, 4,4'-bipy = 4,4'-bipyridine, and tmdp = 4,4'-trimethylenedipyridine) have been synthesized and structurally characterized. Compound 1 was synthesized hydrothermally at 180 degrees C, whereas 2 and 3 were synthesized at room temperature in H2O/ethanol medium. The 2D coordination network of 1 is formed by pillaring the 1D staircase Co-2(1,3-pda)(2) chain by 4,4'-bipy, whereas the 3D supramolecular framework 2 is constituted by connecting the 2D H-bonded Ni(1,3-pdaH)(2)(C2H5OH)(2) sheets. Compound 3 shows an unusual 2D network which is built by the flexible 1,3-pda and tmdp linkers by connecting Cu-2(1,3-pda)(2) dimeric building unit. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.02.019