4,4'-di(3-pyridyl-4-pyrimidinyl)disulfide | 1226998-95-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,4'-di(3-pyridyl-4-pyrimidinyl)disulfide
• 英文别名: Di[4-(pyridin-3-yl)pyrimidinyl]disulfide；4-pyridin-3-yl-2-[(4-pyridin-3-ylpyrimidin-2-yl)disulfanyl]pyrimidine
• CAS: 1226998-95-3
• 化学式: C₁₈H₁₂N₆S₂
• 分子量: 376.465
• InChiKey: AENOWDOWIWBTNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  copper(l) iodide 、 4,4'-di(3-pyridyl-4-pyrimidinyl)disulfide 以 甲苯 、 乙腈 为溶剂， 以58.5%的产率得到[CuI(3-ppds)]n
  参考文献：
  名称：

  Assembling Isomeric heterocyclic disulfide ligands with copper(I) iodide: effect of ligand structure on their assembly structures and S–S reactivity

  摘要：

  Self-assembly of two isomeric heterocyclic disulfide ligands, n-ppds (n-ppds=di[n-(pyridin-2-yl)pyrimidinyl]disulfide, n=3, 4), with copper(I) iodide in acetonitrile/toluene produced different assembled structures and SS reactivity, exhibiting profound influence of disulfide structure. For 3-ppds, a 2D layered structure 1 based on [CuI(3-ppds)]2 was obtained. Homolytic cleavage of the SS bond occurred in 4-ppds, resulting in a 1D staircase double-chain structure 2. 1 and 2 have been characterized by single-crystal X-ray diffraction; solid-state diffuse-reflectance UVvis spectra show that 1 and 2 are semiconductors with band gaps of 2.88 and 2.16eV, respectively.

  DOI：

  10.1080/00958972.2012.759653

文献信息

• Metallosupramolecular silver complexes with ligands of 4,4′-di(2-pyridyl-4-pyrimidinyl) disulfide and 4,4′-di(3-pyridyl-4-pyrimidinyl) disulfide: Syntheses, structures and luminescent properties
  作者：Hai-Bin Zhu、Xin Lu、Shu-Ying Zhang、Shao-Hua Gou、Wen-Na Yang

  DOI：10.1016/j.ica.2011.07.038

  日期：2011.10

  Reaction of 4,4'-di(3-pyridyl-4-pyrimidinyl) disulfide (3-PPDS) with AgNO(3) leads to a unique 2D extended structure [Ag(3-PPDS)(NO(3))]}(n) (1) based on [Ag(2)(3-PPDS)(2)] macrocycle units, of which 1D inorganic [Ag(NO(3))](n) helical chains are generated. By contrast, definite Ag-S bonding interactions associated with the disulfide function have been established in [Ag(2-PPDS)]ClO(4)}(n) (2), which is assembled of 4,4'-di(2-pyridyl-4-pyrimidinyl) disulfide (2-PPDS) with AgClO(4). Solid state luminescent properties of complexes 1 and 2 are also examined. (C) 2011 Elsevier B.V. All rights reserved.
• Assembling Isomeric heterocyclic disulfide ligands with copper(I) iodide: effect of ligand structure on their assembly structures and S–S reactivity
  作者：HAI-BIN ZHU、WEN-NA YANG、RU-YU SHAN

  DOI：10.1080/00958972.2012.759653

  日期：2013.2.1

  Self-assembly of two isomeric heterocyclic disulfide ligands, n-ppds (n-ppds=di[n-(pyridin-2-yl)pyrimidinyl]disulfide, n=3, 4), with copper(I) iodide in acetonitrile/toluene produced different assembled structures and SS reactivity, exhibiting profound influence of disulfide structure. For 3-ppds, a 2D layered structure 1 based on [CuI(3-ppds)]2 was obtained. Homolytic cleavage of the SS bond occurred in 4-ppds, resulting in a 1D staircase double-chain structure 2. 1 and 2 have been characterized by single-crystal X-ray diffraction; solid-state diffuse-reflectance UVvis spectra show that 1 and 2 are semiconductors with band gaps of 2.88 and 2.16eV, respectively.