di-4-pyridylsulfone-N,N'-dioxide | 86416-70-8

• 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: di-4-pyridylsulfone-N,N'-dioxide
• 英文别名: bis-(1-oxy-[4]pyridyl)-sulfone；Bis-(1-oxy-[4]pyridyl)-sulfon；1-Oxido-4-(1-oxidopyridin-1-ium-4-yl)sulfonylpyridin-1-ium；1-oxido-4-(1-oxidopyridin-1-ium-4-yl)sulfonylpyridin-1-ium
• CAS: 86416-70-8
• 化学式: C₁₀H₈N₂O₄S
• 分子量: 252.251
• InChiKey: DKKZTMVYDBYFSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  di-4-pyridylsulfone-N,N'-dioxide 、 silver trifluoromethanesulfonate 以 甲醇 、 乙腈 为溶剂， 反应 120.0h， 以63%的产率得到[Ag(di-4-pyridylsulfone-N,N'-dioxide)(CF₃SO₃)]_∞
  参考文献：
  名称：

  The V-shaped semi-rigid di-4-pyridyl sulfone-N,N′-dioxide ligand and its silver(I), manganese(II) and zinc(II) complexes: Anion tuning and supramolecular assembly

  摘要：

  A series of silver(I) complexes bearing the V-shaped di-4-pyridyl sulfone-N,N'-dioxide ligand (abbreviated as L), namely [Ag(L)(NO3)(H2O)]alpha (1), [Ag(L)(CF3SO3)]alpha (2), [Ag(L)(CF3CO2)]alpha, (3), [Ag(L)(C2F5CO2)]alpha (4) and {[Ag(L)](CLO4)}alpha (5), and the manganese(II) complex [Mn(L)(2)(H2O)(4)](ClO4)(2) (6) and the zinc(II) complex [Zn(L)(2)(H2O)(4)](ClO)(2) (7) of L have been synthesized and characterized. Under the tuning effect of anions with different coordination capacities and steric bulk, the semi-rigid ligand L exhibits versatile mu(2)-, mu(3)- and mu(4)-bridging modes with the N-oxide and/or sulfonyl O atoms functioning as bonding sites to form a coordination chain structure in complex 1, isostructural nets in 2-4, and a three-dimensional framework in 5. The isostructural mononuclear complexes 6 and 7 exhibit the eta(1)-ON-OXIDE, bonding mode of L. Unusual lone-pair aromatic contacts and anion-pi interactions result in supramolecular aggregations of complexes 1-7. The FT-IR spectra and luminescent properties of these complexes have been observed and discussed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.10.033
• 作为产物：
  描述：

  bis-(1-oxy-[4]pyridyl)-sulfide 在 水 、 双氧水 、 溶剂黄146 作用下， 生成 di-4-pyridylsulfone-N,N'-dioxide
  参考文献：
  名称：

  Ochiai et al., Proceedings of the Imperial Academy (Tokyo), 1944, vol. 20, p. 141,143

  摘要：

  DOI：