1,2,4,5-tetrakis(3-pyridylmethylsulfanylmethyl)benzene | 930111-59-4

• 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: 1,2,4,5-tetrakis(3-pyridylmethylsulfanylmethyl)benzene
• 英文别名: 3tet；3-[[2,4,5-Tris(pyridin-3-ylmethylsulfanylmethyl)phenyl]methylsulfanylmethyl]pyridine；3-[[2,4,5-tris(pyridin-3-ylmethylsulfanylmethyl)phenyl]methylsulfanylmethyl]pyridine
• CAS: 930111-59-4
• 化学式: C₃₄H₃₄N₄S₄
• 分子量: 626.935
• InChiKey: KWFPFEUXEWCENG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  六氟磷酸银 、 1,2,4,5-tetrakis(3-pyridylmethylsulfanylmethyl)benzene 以 二氯甲烷 、 乙腈 为溶剂， 以41%的产率得到[Ag(I)2(1,2,4,5-tetrakis(3-pyridylmethylsulfanylmethyl)benzene)](PF6)2
  参考文献：
  名称：

  Structural Invariance in Silver(I) Coordination Networks Formed Using Flexible Four-Armed Thiopyridine Ligands

  摘要：

  Two new isomeric, flexible four-armed thioether pyridine-containing ligands 1,2,4,5-tetrakis(3-pyridylmethylsulfanylmethyl)benzene (3tet) and 1,2,4,5-tetrakis(4-pyridylmethylsulfanylmethyl)benzene (4tet) were prepared and characterized. The ligand 3tet gave rise to three isomorphous 3-D networks when reacted with AgClO4 (1), AgPF6 (2), and AgCF3CO2 (3). The topology of the resulting networks was that of the pyrite net. The ligand 4tet gave rise to two isotopological 3-D networks when reacted with AgClO4 (4 center dot 2MeCN center dot 2CHCl(3)) and AgPF6 (5 center dot 6MeCN). The topology of these networks was that of the rutile net. A third type of 3-D network of previously unknown topology was formed on reaction with AgCF3SO3 (6 center dot 3H(2)O). The network showed nodes with short topological terms 4(2).6 and 4(4).6(2).8(7).10(2). All six networks were binodal and based on three-connected Ag(I) nodes and six-connected ligand-centered nodes. In all of the networks the flexible ligands 3tet and 4tet showed two categories of ligand geometry which in all but one case gave rise to an interligand three-layered pi stack. The networks showed a remarkable lack of dependence on the nature of the counterion and solvent.

  DOI：

  10.1021/ic061867m

文献信息

• Structural Invariance in Silver(I) Coordination Networks Formed Using Flexible Four-Armed Thiopyridine Ligands
  作者：David B. Cordes、Lyall R. Hanton

  DOI：10.1021/ic061867m

  日期：2007.3.1

  Two new isomeric, flexible four-armed thioether pyridine-containing ligands 1,2,4,5-tetrakis(3-pyridylmethylsulfanylmethyl)benzene (3tet) and 1,2,4,5-tetrakis(4-pyridylmethylsulfanylmethyl)benzene (4tet) were prepared and characterized. The ligand 3tet gave rise to three isomorphous 3-D networks when reacted with AgClO4 (1), AgPF6 (2), and AgCF3CO2 (3). The topology of the resulting networks was that of the pyrite net. The ligand 4tet gave rise to two isotopological 3-D networks when reacted with AgClO4 (4 center dot 2MeCN center dot 2CHCl(3)) and AgPF6 (5 center dot 6MeCN). The topology of these networks was that of the rutile net. A third type of 3-D network of previously unknown topology was formed on reaction with AgCF3SO3 (6 center dot 3H(2)O). The network showed nodes with short topological terms 4(2).6 and 4(4).6(2).8(7).10(2). All six networks were binodal and based on three-connected Ag(I) nodes and six-connected ligand-centered nodes. In all of the networks the flexible ligands 3tet and 4tet showed two categories of ligand geometry which in all but one case gave rise to an interligand three-layered pi stack. The networks showed a remarkable lack of dependence on the nature of the counterion and solvent.