catecholato(2,3,9,10,16,17,23,24-octaheptylphthalocyaninato)titanium(IV) | 189205-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: catecholato(2,3,9,10,16,17,23,24-octaheptylphthalocyaninato)titanium(IV)
• CAS: 189205-39-8
• 化学式: C₉₄H₁₃₂N₈O₂Ti
• 分子量: 1454.01
• InChiKey: KDWJACWXIHFKBC-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：

  (2,3,9,10,16,17,23,24-octaheptylphthalocyaninato)oxotitanium(IV) 、 邻苯二酚 以 further solvent(s) 为溶剂， 以68%的产率得到catecholato(2,3,9,10,16,17,23,24-octaheptylphthalocyaninato)titanium(IV)
  参考文献：
  名称：

  Synthesis and spectroscopic properties of octasubstituted (phthalocyaninato)titanium(IV) complexes

  摘要：

  The octasubstituted (phthalocyaninato)titanium complexes [Pc'(R)(8)]TiO (Pc' = 2,3,9,10,16,17,23,24-octasubstituted phthalocyaninate; R = n-C7H15 (1), OC5H11 (2)) have been prepared by treating the corresponding substituted dicyanobenzenes C6H2(CN)(2)(R)(2) with TiCl4 or Ti(OC2H5)(4) in the presence of urea. Compound 1 reacts with catechol to give the catecholato complex [Pc'(C7H15)(8)]Ti(O2C6H4) (3). The electronic absorption spectra of 1 have been measured in a wide range of non-coordinating and coordinating solvents. The solvent effects are mainly due to solvation and the band positions depend on the polarity and coordinating power of the solvents. Aggregation has also been shown to exist for compound 1 in hexane, but not in chloroform.

  DOI：

  10.1016/s0020-1693(96)05420-5