D2-octakis(ethoxy)phthalocyanine | 312493-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: D2-octakis(ethoxy)phthalocyanine
• CAS: 312493-22-4
• 化学式: C₄₈H₅₀N₈O₈
• 分子量: 868.958
• InChiKey: PCUJOFBWLSXCHH-ZSJDYOACSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.06
• 重原子数：
  64.0
• 可旋转键数：
  16.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  182.76
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  tris(acetonitrile)pentamethylcyclopentadienylruthenium(II) hexafluorophosphate 、 D2-octakis(ethoxy)phthalocyanine 以 二氯甲烷 为溶剂， 以60%的产率得到[(C5Me5)Ru(η6-D2-octakis(ethoxy)phthalocyanine)]PF6
  参考文献：
  名称：

  π-Complexes of Phthalocyanines and Metallophthalocyanines

  摘要：

  Addition of [Cp*Ru(MeCN)(3)]PF6 to M(PcOEt) (PcOEt = octakis(ethoxy)phthalocyanine; M = H-2,H- Ni (1), Cu, VO) in dichloromethane results in the formation of {Cp*Ru[eta (6)-M(PcOEt)]}PF6. The molecular structure of 1 reveals eta (6)-coordination of Cp*Ru2+ to one of the isoindole subunits of the phthalocyanine ligand. The crystal structure reveals the presence of two cofacially stacked Pc units in the asymmetric unit separated by 3.27-3.36 Angstrom. In [Cp*Ru(eta (6)-H2PcOEt)]PF6, two distinct N-H sites are apparent in the H-1 NMR and IR spectra, but only one is exchangeable. The coordinated macrocycle can be metalated. The UV and electrochemical data indicate that the pi -bonded metal center functions as an electron-donating substituent. Luminescence studies indicate that the eta (6)-coordination quenches fluorescence to a lesser degree than coordination of metals into the N-4 pocket of the phthalocyanine subunit.

  DOI：

  10.1021/om000467i