3-[1,2-Bis(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-pyridin-3-ylethyl]pyridine | 1227098-50-1

• 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: 3-[1,2-Bis(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-pyridin-3-ylethyl]pyridine
• 英文别名: 3-[1,2-bis(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-pyridin-3-ylethyl]pyridine
• CAS: 1227098-50-1
• 化学式: C₂₂H₂₀N₂S₄
• 分子量: 440.678
• InChiKey: CISHTCQDQGPQCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[(4,5-dimethyl-1,3-dithiol-2-ylidene)methyl]pyridine 在 silver tetrafluoroborate 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以38%的产率得到3-[1,2-Bis(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-pyridin-3-ylethyl]pyridine
  参考文献：
  名称：

  Pyridyldithiafulvenes as Precursors of Coordination-Driven Self-Assembled Redox Active Macrocycle

  摘要：

  A novel redox active macrocycle including two vinylogous tetrathiafulvalenes (TTFVs) and two molybdenum tetracarbonyl fragments has been synthezised thanks to the coordination-driven self-assembly of complementary angular derivatives. Pyridyl vinylogous TTFVs have been deliberately elaborated for that purpose, using the oxidative coupling of pyridyldithiafulvenes (DTF). Cyclic voltammetry, IR and NMR spectroscopies, and single-crystal X-ray crystallography of the target molecules have been investigated.

  DOI：

  10.1021/ol1007422

文献信息

• Pyridyldithiafulvenes as Precursors of Coordination-Driven Self-Assembled Redox Active Macrocycle
  作者：Elodie Gontier、Nathalie Bellec、Pierre Brignou、Arnaud Gohier、Michel Guerro、Thierry Roisnel、Dominique Lorcy

  DOI：10.1021/ol1007422

  日期：2010.5.21

  A novel redox active macrocycle including two vinylogous tetrathiafulvalenes (TTFVs) and two molybdenum tetracarbonyl fragments has been synthezised thanks to the coordination-driven self-assembly of complementary angular derivatives. Pyridyl vinylogous TTFVs have been deliberately elaborated for that purpose, using the oxidative coupling of pyridyldithiafulvenes (DTF). Cyclic voltammetry, IR and NMR spectroscopies, and single-crystal X-ray crystallography of the target molecules have been investigated.