2,2'-[(E)-ethene-1,2-diylbis(pyridinio-4,1-diyl)]diethanesulfonate | 1290573-46-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2'-[(E)-ethene-1,2-diylbis(pyridinio-4,1-diyl)]diethanesulfonate
• CAS: 1290573-46-4
• 化学式: C₁₆H₁₈N₂O₆S₂
• 分子量: 398.461
• InChiKey: QUSSTLGQWAYSNW-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  122.16
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2'-[(E)-ethene-1,2-diylbis(pyridinio-4,1-diyl)]diethanesulfonate 、 葫芦[7]脲 以 水 、 乙腈 为溶剂， 反应 336.0h， 以53%的产率得到C₁₆H₁₈N₂O₆S₂*C₄₂H₄₂N₂₈O₁₄
  参考文献：
  名称：

  Pseudorotaxane complexes between viologen vinylogues and cucurbit[7]uril: New prototype of photocontrolled molecular machine

  摘要：

  Dibetaines of unsaturated viologen analogues that form supramolecular complexes with cucurbit[7]uril were synthesized. The pseudorotaxane structure and stability of the complexes were established by UV/Vis and H-1 NMR spectroscopy and by X-ray diffraction analysis. Complexes of this structure are prototypes of a light-controlled molecular machine. (c) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.01.013
• 作为产物：
  描述：

  1,2-二(4-吡啶基)乙烯 、 sodium 2-bromethanesulfonate 以 乙醇 为溶剂， 反应 50.0h， 以64%的产率得到2,2'-[(E)-ethene-1,2-diylbis(pyridinio-4,1-diyl)]diethanesulfonate
  参考文献：
  名称：

  Pseudorotaxane complexes between viologen vinylogues and cucurbit[7]uril: New prototype of photocontrolled molecular machine

  摘要：

  Dibetaines of unsaturated viologen analogues that form supramolecular complexes with cucurbit[7]uril were synthesized. The pseudorotaxane structure and stability of the complexes were established by UV/Vis and H-1 NMR spectroscopy and by X-ray diffraction analysis. Complexes of this structure are prototypes of a light-controlled molecular machine. (c) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.01.013