cobalt(3+);[12-(cyclopenta-2,4-diene-1-carbonyl)-6,9-dioxa-3,12,23,26-tetrazatetracyclo[12.8.4.017,25.020,24]hexacosa-1(23),14(26),15,17(25),18,20(24),21-heptaen-3-yl]-cyclopenta-2,4-dien-1-ylmethanone;hexafluorophosphate | 445389-23-1

• 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: cobalt(3+);[12-(cyclopenta-2,4-diene-1-carbonyl)-6,9-dioxa-3,12,23,26-tetrazatetracyclo[12.8.4.017,25.020,24]hexacosa-1(23),14(26),15,17(25),18,20(24),21-heptaen-3-yl]-cyclopenta-2,4-dien-1-ylmethanone;hexafluorophosphate
• CAS: 445389-23-1
• 化学式: C₃₂H₃₀CoN₄O₄*F₆P
• 分子量: 738.572
• InChiKey: DGTYDIMTZFFRCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.93
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84.9
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 1,1'-bis(chlorocarbonyl)cobalticinium chloride 、 6,9-Dioxa-3,12,23,26-tetraazatetracyclo<12.8.4.0^17,25.0^20,24>hexacosa-1(23),14(26),15,17,19,21,24-heptaene 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以26%的产率得到cobalt(3+);[12-(cyclopenta-2,4-diene-1-carbonyl)-6,9-dioxa-3,12,23,26-tetrazatetracyclo[12.8.4.017,25.020,24]hexacosa-1(23),14(26),15,17(25),18,20(24),21-heptaen-3-yl]-cyclopenta-2,4-dien-1-ylmethanone;hexafluorophosphate
  参考文献：
  名称：

  The synthesis and complexation of a cobaltocenium-based redox-active cryptand containing the phenanthroline unit

  摘要：

  The synthesis and characterization of a cobaltocenium-based redox-active cryptand 3 containing a phenanthroline unit is described. Complex formation (with Ca2+) Was Studied by H-1/C-13-NMR. and the effects of complexation on the redox properties of 3 were monitored by cyclic voltammetry. The fluorescence spectra of the complexes of 3 and its ferrocene analogue (4) with Eu3+ are also reported. and the low intensity of the fluorescence in each case attributed to carbonyl coordination of Eu3+ rather than metallocene quenching. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01415-2