(1-(2-pyridylmethyl)-5-methyl-1,5-diazacyclononane)(trifluoroacetato)copper(II) hexafluorophosphate | 367912-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (1-(2-pyridylmethyl)-5-methyl-1,5-diazacyclononane)(trifluoroacetato)copper(II) hexafluorophosphate
• 英文别名: Copper;1-methyl-5-(pyridin-2-ylmethyl)-1,5-diazocane;2,2,2-trifluoroacetate;hexafluorophosphate
• CAS: 367912-72-9
• 化学式: C₁₅H₂₁CuF₃N₃O₂*F₆P
• 分子量: 540.856
• InChiKey: QTFKDXKFCWENPL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  59.5
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  bis(1-(2-pyridylmethyl)-5-methyl-1,5-diazacyclononane)bis(.mu-chlorodicopper(II)) hexafluorophosphate 、 silver trifluoroacetate 以 乙腈 为溶剂， 生成 (1-(2-pyridylmethyl)-5-methyl-1,5-diazacyclononane)(trifluoroacetato)copper(II) hexafluorophosphate
  参考文献：
  名称：

  Enhanced Reactivity of Copper Catalysts for Olefin Aziridination by Manipulation of Ligand Denticity

  摘要：

  A key requirement fbr the generation of active copper catalysts for olefin aziridination has been identified by examination of a copper(II) complex supported by a new tridentate. mer-coordinating, pyridyl-appended diazacyclooctane ligand. Combined structural, spectroscopic, and electrochemical studies suggest that the high catalytic reactivity of complex 4 (shown) is rooted in facile access to an equatorial coordination site, occupied by a labile trifluoroacetate ligand in its X-ray crystal structure.

  DOI：

  10.1021/ic015551k