9-methyl-2-[12-(9-methyl-1,10-phenanthrolin-2-yl)dodecyl]-1,10-phenanthroline | 406161-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 9-methyl-2-[12-(9-methyl-1,10-phenanthrolin-2-yl)dodecyl]-1,10-phenanthroline
• 英文别名: 2-Methyl-9-[12-(9-methyl-1,10-phenanthrolin-2-yl)dodecyl]-1,10-phenanthroline
• CAS: 406161-47-5
• 化学式: C₃₈H₄₂N₄
• 分子量: 554.778
• InChiKey: KNLFLJRMBCLSHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 9-methyl-2-[12-(9-methyl-1,10-phenanthrolin-2-yl)dodecyl]-1,10-phenanthroline 以 二氯甲烷 、 乙腈 为溶剂， 以85%的产率得到[Cu(9-methyl-2-[12-(9-methyl-1,10-phenanthrolin-2-yl)dodecyl]-1,10-phenanthroline)2]BF4
  参考文献：
  名称：

  Redox Induced Reversible Structural Transformations of Dimeric and Polymeric Phenanthroline-Based Copper Chelates

  摘要：

  The synthesis and characterization of copper complexes of the phenanthroline based bridging ligands, 9-methyl-2-(2-{4-[2-(9-methyl-1,10-phenanthrolin-2-yl)ethyl]phenyl}ethyl)-1,10-phenanthroline, 1, and 1,12-bis(9-methyl-1,10-phenanthroline-2-yl)dodecane, 2, are presented. Whereas in the first case a discrete dimeric complex [Cu(2)(1)(2)](BF(4))2 was formed, in the latter, a coordination polymer [2(Cu(2))(n)](BF(4))(n) resulted. Both of these materials have been characterized by cyclic voltammetry (CV), the electrochemical quartz crystal microbalance (EQCM), and UV-vis spectroscopy and the results compared to those of the monomeric [Cu(dMP)(2)](BF(4)) (dmp is 2,9-dimethyl-1,10-phenanthroline) species. Oxidation of the dimeric species results in its precipitation and reduction results in stripping of the deposited layer as ascertained from CV and EQCM measurements. The electrooxidation of the copper centers in the coordination polymer results in changes in the coordination which are fully reversible upon reduction. The dissociation/regeneration of the coordination polymer as a function of the redox state of the copper centers has been characterized by CV, EQCM, and UV-vis spectroelectrochemistry.

  DOI：

  10.1021/ic010608o