octa-1,8-bis-isonicotinoyloxy-2(E),4(E),6(E)-triene | 469862-20-2

• 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: octa-1,8-bis-isonicotinoyloxy-2(E),4(E),6(E)-triene
• 英文别名: [(2E,4E,6E)-8-(pyridine-4-carbonyloxy)octa-2,4,6-trienyl] pyridine-4-carboxylate
• CAS: 469862-20-2
• 化学式: C₂₀H₁₈N₂O₄
• 分子量: 350.374
• InChiKey: JBXVLGVIPJPARP-CRQXNEITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  diethyl octa-2(E),4(E),6(E)-triene-1,8-dioate 在 二异丁基氢化铝 、 三乙胺 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 octa-1,8-bis-isonicotinoyloxy-2(E),4(E),6(E)-triene
  参考文献：
  名称：

  The Topochemical 1,6-Polymerization of a Triene

  摘要：

  The first topochemical 1,6-polymerization of a triene has been observed. The required supramolecular structure for this polymerization was achieved by the pi-pi stacking of the isonicotinate functionality. The crystal environment of this polymerization reaction controlled both the molecular and supramolecular structure of the polymer and allowed its structure to be determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/ja027444a

文献信息

• The Topochemical 1,6-Polymerization of a Triene
  作者：Tram Hoang、Joseph W. Lauher、Frank W. Fowler

  DOI：10.1021/ja027444a

  日期：2002.9.1

  The first topochemical 1,6-polymerization of a triene has been observed. The required supramolecular structure for this polymerization was achieved by the pi-pi stacking of the isonicotinate functionality. The crystal environment of this polymerization reaction controlled both the molecular and supramolecular structure of the polymer and allowed its structure to be determined by single-crystal X-ray diffraction.