6,6'-(Hydroxymethylene)di(pyridine-2-carbonitrile) | 114454-30-7

• 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: 6,6'-(Hydroxymethylene)di(pyridine-2-carbonitrile)
• 英文别名: 6-[(6-cyanopyridin-2-yl)-hydroxymethyl]pyridine-2-carbonitrile
• CAS: 114454-30-7
• 化学式: C₁₃H₈N₄O
• 分子量: 236.233
• InChiKey: LATHZOXPKQCLAT-UHFFFAOYSA-N

物化性质

• 沸点：
  471.7±45.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,6'-(Hydroxymethylene)di(pyridine-2-carbonitrile) 以 二甲基亚砜 为溶剂， 生成 6-[(6-Carboxypyridin-2-yl)-[3-(oxan-2-yloxy)propoxy]methyl]pyridine-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and Coordination Properties of Pendant Arm Dipyridylmethane Derivatives

  摘要：

  Dipyridylmetane dicarboxylic acids with pendant arms containing pyridine groups were prepared. Cu(II) was shown to form square pyramidal complexes with the ligands. Depending on the structure of the pendant arm, the apical position was occupied either by a water molecule or by a pyridyl group from the same molecule or form a neighboring molecule. The reason for the different behavior of the ligands is suggested to be due to stereoelectronically induced conformational preferences of the ligands.

  DOI：

  10.1021/jo00087a012

文献信息

• Synthesis and Coordination Properties of Pendant Arm Dipyridylmethane Derivatives
  作者：Hans Adolfsson、Kenneth Waernmark、Christina Moberg

  DOI：10.1021/jo00087a012

  日期：1994.4

  Dipyridylmetane dicarboxylic acids with pendant arms containing pyridine groups were prepared. Cu(II) was shown to form square pyramidal complexes with the ligands. Depending on the structure of the pendant arm, the apical position was occupied either by a water molecule or by a pyridyl group from the same molecule or form a neighboring molecule. The reason for the different behavior of the ligands is suggested to be due to stereoelectronically induced conformational preferences of the ligands.