Cu(1-formyl-1,3,6,10,13-pentaazacyclotetradecane)(ClO4)2 | 217192-37-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Cu(1-formyl-1,3,6,10,13-pentaazacyclotetradecane)(ClO4)2
• 英文别名: copper;1,3,5,8,12-pentazacyclotetradecane-3-carbaldehyde;diperchlorate
• CAS: 217192-37-5；217192-40-0
• 化学式: C₁₀H₂₃Cl₂CuN₅O₉
• 分子量: 491.773
• InChiKey: ANTCLONKFLFFKV-UHFFFAOYSA-L

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：

  聚合甲醛 、 (N,N'-bis(2-aminoethyl)propane-1,3-diamine)copper(II) diperchlorate 、 formamide 在 Et₃N 作用下， 以 乙醇 、 水 为溶剂， 以74.8%的产率得到Cu(1-formyl-1,3,6,10,13-pentaazacyclotetradecane)(ClO4)2
  参考文献：
  名称：

  New cyclam-type copper(II) complexes with amide molecular padlock: synthesis, properteis and crystal structure

  摘要：

  The macrocyclic complex CuL1(ClO4)(2) (L-1: 1-formyl-1,3,6,10,1 3-pentaazacyclotetradecane ) has been prepared. Two isomeric forms of CuL1(ClO4)(2) were obtained. The structures of these isomers were determined by X-ray diffraction analysis. The structure of the closest homologue, CuL2(ClO4)(2). MeCN (L-2: 1-acetyl-1,3,6,10,13-pentaazacyclotetrad), was determined for comparison. Macrocyclization was also successful using Cu(en)(2)(2+) as the starting compound. The decrease of the locking fragment size in 1-formyl-1,3,6, 10,13-pentaazacyclotetradecane complexes changes the counterion coordination to the macrocyclic cation. No direct interaction between the locking nitrogen atom and the central metal ion was detected. The syntheses of CuL3(ClO4)(2)(L-3: 1,8-diformyl-1,3,6,8,10,13-hexaazacyclotetradecane) and CuL4(ClO4)(2) (L-4: 1-(hydroxypropionyl) -1,3,6, 10,13-pentaazacyclotetradecane) are also reported. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00196-0