| 460348-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 460348-65-6
• 化学式: C₂₆H₅₀N₆NiO₂
• 分子量: 537.412
• InChiKey: CFSCQDXBBIXJOK-GLPFUBJTSA-N

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：

  甲醇 、 (2,13-bis(cyanomethyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane)nickel(II) 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Stepwise reactions of two N–CH2CN or two N–CH2C(NH)OMe groups attached to macrocyclic copper(II) complexes: Preparation of homo- and hetero-di-N-functionalized macrocyclic complexes

  摘要：

  The hetero-functionalized macrocyclic complex [CuL2](ClO4)(2) bearing one N-CH2C(=NH)OMe and one N-CH2CN groups as well as [CuL3](ClO4)(2) bearing two N-CH2C(=NH)OMe groups have been prepared selectively by the reaction of [CuL1](ClO4)(2) (L-2 = 2,13-bis(cyanomethyl)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.(1.18)0(7.12)]docosane) with methanol. The N-CH2C(=NH) OCH3 group in [CuL2](ClO4)(2) is quite inert against acid hydrolysis. On the other hand, the functional pendant arms in [CuL3](ClO4)(2) readily undergo acid hydrolysis. Both [CuL4](ClO4)(2) bearing one N-CH2COOCH3 and one N-CH2C(=NH)OCH3 groups and [CuL5](ClO4)(2) bearing two N-CH2OOCH3 groups have been prepared by the stepwise hydrolysis of [CuL3](ClO4)(2). The reactivity of the functional pendant arms in [CuL1](ClO4)(2) or [CuL3](ClO4)(2) is quite different from that in [NiL1](ClO4)(2) or [NiL3](ClO4)(2). The crystal structure of [CuL2](ClO4)(2) shows that the complex has a slightly distorted square-pyramidal coordination polyhedron with an apical Cu-N (N-CH2C(=NH)OCH3 group) bond. The N-CH2C(=NH)OCH3 and/or N-CH2COOCH3 groups in [CuL3](ClO4)(2), [CuL4](ClO4)(2), and [CuL5](ClO4)(2) are involved in coordination, and the complexes have distorted trans-octahedral coordination polyhedron. The axial Cu-N (N-CH2C(=NH) OCH3 group) distance (2.396(7) angstrom) of [CuL4](ClO4)(2) is considerably longer than the Cu-N (N-CH2C(=NH)OCH3 group) distance (2.169(3) angstrom) of [CuL2](ClO4)(2). (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.05.016