2,2'-bipyridinium pycrate | 41569-60-2

• 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: 2,2'-bipyridinium pycrate
• 英文别名: [2,2']bipyridyl; picrate；[2,2']Bipyridyl; Picrat；2-Pyridin-2-ylpyridine;2,4,6-trinitrophenol；2-pyridin-2-ylpyridine;2,4,6-trinitrophenol
• CAS: 41569-60-2
• 化学式: C₆H₃N₃O₇*C₁₀H₈N₂
• 分子量: 385.293
• InChiKey: SIPJHUXGBDXSON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  184
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 苦味酸 在 水 作用下， 以 氯仿 为溶剂， 生成 2,2'-bipyridinium pycrate
  参考文献：
  名称：

  Preparation and spectroscopic studies on charge-transfer complexes of 2,2′-bipyridine with picric and chloranilic acids

  摘要：

  Charge-transfer (CT) complexes formed on the reaction of 2,2'-bipyridine with some acceptors such as picric acid (HPA) and chloranilic acid (H(2)CA) have been studied in CHCl3 and MeOH at room temperature. Based on elemental analysis and IR spectra of the solid CT complexes along with the photometric titration curves for the reactions, the data obtained indicate the formation of 1:1 charge-transfer complexes [(bpyH)(PA)] and [(bpyH(2))(CA)], respectively. The infrared and H-1 NMR spectroscopic data indicate a charge-transfer interaction associated with a proton migration from the acceptor to the donor followed by intramolecular hydrogen bonding. The formation constants (K-C) for the complexes were shown to be dependent on the structure of the electron acceptors used. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2004.12.017

文献信息

• Preparation and spectroscopic studies on charge-transfer complexes of 2,2′-bipyridine with picric and chloranilic acids
  作者：Said M. Teleb、Akmal S. Gaballa

  DOI：10.1016/j.saa.2004.12.017

  日期：2005.11

  Charge-transfer (CT) complexes formed on the reaction of 2,2'-bipyridine with some acceptors such as picric acid (HPA) and chloranilic acid (H(2)CA) have been studied in CHCl3 and MeOH at room temperature. Based on elemental analysis and IR spectra of the solid CT complexes along with the photometric titration curves for the reactions, the data obtained indicate the formation of 1:1 charge-transfer complexes [(bpyH)(PA)] and [(bpyH(2))(CA)], respectively. The infrared and H-1 NMR spectroscopic data indicate a charge-transfer interaction associated with a proton migration from the acceptor to the donor followed by intramolecular hydrogen bonding. The formation constants (K-C) for the complexes were shown to be dependent on the structure of the electron acceptors used. (c) 2004 Elsevier B.V. All rights reserved.