[Cu((R)-α-methyl-2-pyridinemethanol(-1H))(dicyanamide)] | 945215-22-5

• 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: [Cu((R)-α-methyl-2-pyridinemethanol(-1H))(dicyanamide)]
• CAS: 945215-22-5
• 化学式: C₂N₃*C₇H₈NO*Cu
• 分子量: 251.735
• InChiKey: RJPDLULQYLFUMO-QYCVXMPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  94.4
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (R)-2-(1-羟乙基)吡啶 、 copper(II) acetate monohydrate 、 sodium dicyanamide 在 Me₄NOH 作用下， 以 甲醇 为溶剂， 以72%的产率得到[Cu((R)-α-methyl-2-pyridinemethanol(-1H))(dicyanamide)]
  参考文献：
  名称：

  Crystal Structures and Magnetic and Ferroelectric Properties of Chiral Layered Metal−Organic Frameworks with Dicyanamide as the Bridging Ligand

  摘要：

  Two homochiral 2D-layered frameworks composed of a Cu2O2 core and dicyanamide (dca) linkers, [Cu((R)-hmp*)(dca)](n) (1) and [Cu((S)-hmp*)(dca)](n) (2) (hmp* = alpha-methyl-2-pyridinemethanol), have been synthesized and structurally characterized. Preliminary investigations suggest that 1 and 2 show possible ferroelectric behaviors. Magnetic studies reveal the existence of strong antiferromagnetic interactions between the Cu-II centers in both complexes. The results demonstrate that 1 and 2 are multifunctional material candidates combining ferroelectric and antiferromagnetic properties in one molecule.

  DOI：

  10.1021/ic070112s