(E)-1,2-di(pyridin-4-yl)ethene fumarate | 1370516-18-9

• 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: (E)-1,2-di(pyridin-4-yl)ethene fumarate
• CAS: 1370516-18-9
• 化学式: C₄H₄O₄*C₁₂H₁₀N₂
• 分子量: 298.298
• InChiKey: GTOCRDHYASKKFH-MAZDBSFSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100.38
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-1,2-di(pyridin-4-yl)ethene fumarate 以80%的产率得到rctt-tetrakis(4-pyridyl)cyclobutane
  参考文献：
  名称：

  Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals of trans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids

  摘要：

  A series of co-crystals of trans-1,2-bis(4-pyridyl) ethylene (bpe) with aliphatic saturated or unsaturated dicarboxylic acids, of the type [(bpe)(L)] (L = dicarboxylic acid), were prepared and characterized by single crystal X-ray crystallography. In all cases chains of the type acid center dot center dot center dot bpe center dot center dot center dot acid were formed via strong O-H center dot center dot center dot N hydrogen bonds. The chains were further linked between them by weak C-H center dot center dot center dot O hydrogen bonds, pi-pi and herringbone interactions to form three-dimensional structures. Thermal analysis showed considerable elevation of the melting/decomposition point of the co-crystals with respect either to both components or to bpe, ascribed to the formation of multiple complementary C-H center dot center dot center dot O bonds as well as to pi-pi interactions between the two conformer molecules. When L = fumaric acid, the two components stack separately with their C=C bonds strictly parallel between them at 3.83 angstrom from one another. However, photodimerization reaction takes place only between the olefin bonds of bpe. Photodimerization reaction between one C=C bond of the acid and that of bpe was also induced when L = trans,trans-muconic acid.

  DOI：

  10.1021/cg200681s
• 作为产物：
  描述：

  1,2-二(4-吡啶基)乙烯 、 富马酸 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 (E)-1,2-di(pyridin-4-yl)ethene fumarate
  参考文献：
  名称：

  Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals of trans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids

  摘要：

  A series of co-crystals of trans-1,2-bis(4-pyridyl) ethylene (bpe) with aliphatic saturated or unsaturated dicarboxylic acids, of the type [(bpe)(L)] (L = dicarboxylic acid), were prepared and characterized by single crystal X-ray crystallography. In all cases chains of the type acid center dot center dot center dot bpe center dot center dot center dot acid were formed via strong O-H center dot center dot center dot N hydrogen bonds. The chains were further linked between them by weak C-H center dot center dot center dot O hydrogen bonds, pi-pi and herringbone interactions to form three-dimensional structures. Thermal analysis showed considerable elevation of the melting/decomposition point of the co-crystals with respect either to both components or to bpe, ascribed to the formation of multiple complementary C-H center dot center dot center dot O bonds as well as to pi-pi interactions between the two conformer molecules. When L = fumaric acid, the two components stack separately with their C=C bonds strictly parallel between them at 3.83 angstrom from one another. However, photodimerization reaction takes place only between the olefin bonds of bpe. Photodimerization reaction between one C=C bond of the acid and that of bpe was also induced when L = trans,trans-muconic acid.

  DOI：

  10.1021/cg200681s