| 1198595-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 1198595-84-4
• 化学式: C₁₉H₃₁CdN₆O₄*ClO₄
• 分子量: 619.354
• InChiKey: OJTREBZUYBXVLN-KCJKKGCLSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 1,4-双(3-氨基丙基)哌嗪 、 2,6-二乙酰基吡啶 以 甲醇 、 乙醇 为溶剂， 以32%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of some new cadmium (II) macrocyclic Schiff-base complexes containing piperazine moiety

  摘要：

  The metal templated Cd(II) cyclocondensation of 2,6-diacetylpiridine or 2,6-pyridinedicarbaldehyde and two different amines containing piperazine moieties have been investigated. The resulting ligands, L-1 and L-2 are 16- and L-3 and L-4 17-membered pentaaza macrocycles. The complexes have been characterized by a variety of methods including IR, H-1, C-13 NMR, DEPT, COSY(H,H), HMQC(H,C), FAB spectrometry and conductivimetry measurements. The crystal structures of [(CdLCl)-Cl-2](CH3OH)ClO4 (2) and [CdL4(NO3)(H2O)]-ClO4 (4) have been also determined, and it was shown that the geometry of the Cd(II) ion in the complexes is slightly distorted pentagonal pyramidal and pentagonal bipyramidal, respectively. The gas-phase structures of ligands, L-2 and L-4 and their Cd(II) complexes have also theoretically studied. (c) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2009.05.083