potassium N,N-bis(3-methyl-5-tert-butylpyrazolylmethyl)glycinate | 1112997-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: potassium N,N-bis(3-methyl-5-tert-butylpyrazolylmethyl)glycinate
• 英文别名: Potassium;2-[bis[(3-tert-butyl-5-methylpyrazol-1-yl)methyl]amino]acetate
• CAS: 1112997-87-1
• 化学式: C₂₀H₃₂N₅O₂*K
• 分子量: 413.605
• InChiKey: WXJDBYJRYVDWCH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.04
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  79
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  manganese(II) bromide tetrahydrate 、 potassium N,N-bis(3-methyl-5-tert-butylpyrazolylmethyl)glycinate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Preparation of a new 16-MC-4 structure type that captures Mn(II) in the central cavity

  摘要：

  Bernhard Lippert has contributed significantly to the understanding of metallamacrocyclic complexes with low valent, late transition metals. In particular, he has pioneered the preparation of metallacalixarenes such as 12-MC-3 and 16-MC-4 structure types. In this article, we provide the preparation of a new 16-MC-4, [Mn4Br4(B((BuM)-Bu-t) PZG)(4)] [Mn(HOCO2)(2)], complex made with the ligand potassium N, N-bis(3-methyl-5-tert-butylpyrazolylmethyl) glycinate (KB((BuM)-Bu-t) PZG). In addition to being the first 16-MC-4 that is composed of manganese, this complex is the first example of a transition metal [Mn(II)] being captured in the interior cavity of the 16-MC-4. We discuss how our ligand design leads to the isolated structure due to the steric bulk that has been appended to the pyrazole ligand. (C) 2008 Published by Elsevier B. V.

  DOI：

  10.1016/j.ica.2008.02.006