2,2-Bis(6-cyano-2-pyridyl)-3,5-dioxo-8-(3-picolinoxy)octane | 155820-12-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-Bis(6-cyano-2-pyridyl)-3,5-dioxo-8-(3-picolinoxy)octane
• CAS: 155820-12-5
• 化学式: C₂₄H₂₃N₅O₃
• 分子量: 429.478
• InChiKey: QXOXUEOVBSNEHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  32.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  113.94
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2,2-Bis(6-cyano-2-pyridyl)-3,5-dioxo-8-(3-picolinoxy)octane 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以92%的产率得到2,2-Bis(6-carboxy-2-pyridyl)-3,5-dioxo-8-(3-picolinoxy)octane
  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
• 作为产物：
  描述：

  1,1-Bis(6-cyano-2-pyridyl)-1-<(trimethylsilyl)oxy>ethane 在 sodium hydride 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 0.5h， 生成 2,2-Bis(6-cyano-2-pyridyl)-3,5-dioxo-8-(3-picolinoxy)octane
  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