trans-N-(2',5'-dihydroxyphenyl)-4-(2-(pyridin-2-yl)vinyl)pyridinium chloride | 1246287-41-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: trans-N-(2',5'-dihydroxyphenyl)-4-(2-(pyridin-2-yl)vinyl)pyridinium chloride
• CAS: 1246287-41-1
• 化学式: C₁₈H₁₅N₂O₂*Cl
• 分子量: 326.782
• InChiKey: KJUGOFLIOXLIBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.06
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.23
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  trans-N-(2',5'-dihydroxyphenyl)-4-(2-(pyridin-2-yl)vinyl)pyridinium chloride 生成
  参考文献：
  名称：

  Intermolecular interactions of punicin derivatives

  摘要：

  The 2- and 4-methyl derivates of punicin [N-(2',5'-dihydroxyphenyl)-pyridinium chloride] were subjected to Knoevenagel reactions. Starting materials as well as reaction products were examined with respect to homo and hetero-intermolecular interactions. It was found that N-(2',5'-dihydroxyphenyl)-2-methylpyridinium chloride forms a stable 2:1 complex to hydroquinone. Decomplexation can be accomplished by anion exchange to tetraphenylborate, or by competing complexation with p-benzoquinone. Results of three single crystal X-ray analyses as well as NMR titrations and dilution experiments are presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.079
• 作为产物：
  描述：

  吡啶-2-甲醛 、 1-(2',5'-dihydroxyphenyl)-4-methylpyridinium chloride 在 哌啶 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以48%的产率得到trans-N-(2',5'-dihydroxyphenyl)-4-(2-(pyridin-2-yl)vinyl)pyridinium chloride
  参考文献：
  名称：

  Intermolecular interactions of punicin derivatives

  摘要：

  The 2- and 4-methyl derivates of punicin [N-(2',5'-dihydroxyphenyl)-pyridinium chloride] were subjected to Knoevenagel reactions. Starting materials as well as reaction products were examined with respect to homo and hetero-intermolecular interactions. It was found that N-(2',5'-dihydroxyphenyl)-2-methylpyridinium chloride forms a stable 2:1 complex to hydroquinone. Decomplexation can be accomplished by anion exchange to tetraphenylborate, or by competing complexation with p-benzoquinone. Results of three single crystal X-ray analyses as well as NMR titrations and dilution experiments are presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.079