| 168912-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 168912-57-0
• 化学式: C₁₉H₂₅CuN₅O₅P*ClO₄
• 分子量: 597.408
• InChiKey: ZQVVMUDJYGUCQC-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：

  、 sodium dimethyl phosphate 以 甲醇 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Reactivity of Copper(II) Hydroxides and Copper(II) Alkoxides for Cleaving an Activated Phosphate Diester

  摘要：

  Two new copper(II) chloride complexes of N-(2-hydroxyethyl)bis(pyridylmethyl)amine (CuL(2)) and N-(3-hydroxypropyl)bis(pyridylmethyl)amine (CuL(3)) have been synthesized and characterized. The reactivities of CuL(2) and CuL(3) for cleaving bis(2,4-dinitrophenyl) phosphate (BDNPP) have been compared to that of copper(II) chloride complex of bis(pyridylmethyl)amine (CuL(1)). The copper complex with the hydroxypropyl group (CuL(3)) cleaves the phosphate diester by transesterification while the complex with the hydroxyethyl group (CuL(2)) or the complex without any pendant alcohol groups (CuL(1)) cleaves it by hydrolysis. Furthermore, CuL(3) (k = 7.2 x 10(-1) M(-1) s(-1) at 25 degrees C, pH 8.8) is about two orders of magnitude more reactive than CuL(2) (k = 9.5 x 10(-3) M(-1) s(-1)) and CuL(1) (k = 2.0 x 10(-2) M(-1) s(-1)) for cleaving the diester. The differences in the mechanisms and the reactivities are explained in terms of the differences in the structures of the three copper complexes. Crystal structures of [(L(1)')-Cu(OP(O)(OCH3)(2))(HOCH3)]Cl and [(L(2)')Cu(Cl)]Cl have been determined as structural models of CuL(1) and CuL(2), respectively (L(1)' = bis(2-benzimidazolylmethyl)amine; L(2)' = N-(2-hydroxyethyl)bis(2-benzimidazolylmethyl)amine).

  DOI：

  10.1021/ja00142a010