copper(II) 2,9,16,23-tetrahydroxyhophthalocyanine | 21707-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: copper(II) 2,9,16,23-tetrahydroxyhophthalocyanine
• 英文别名: Copper;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetrol
• CAS: 21707-33-5
• 化学式: C₃₂H₁₆CuN₈O₄
• 分子量: 640.076
• InChiKey: QYPAKDSQJBHDMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  45
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  157
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2,9,16,23-四硝基-29H,31H-酞菁根)铜 在 NaOH 、 H₂SO₄ 作用下， 以 盐酸 、 水 为溶剂， 生成 copper(II) 2,9,16,23-tetrahydroxyhophthalocyanine
  参考文献：
  名称：

  New "molecular metals" based on symmetrically tetrasubstituted copper phthalocyanine complexes

  摘要：

  Pure copper(II) tetrasubstituted phthalocyanine complexes, CuPTX (where X = -NO2, -NH2, -SO3H, and -OH) were synthesized. The electrical conductivity properties of these complexes were investigated both before and after iodine doping for the first time. Elemental, electronic, IR, magnetic susceptibility measurements, ESR, X-ray diffraction, and TGA analytical techniques were used to characterize and study the effect of substituents as well as iodine doping. Variation in the electrical conductivity of the copper phthalocyanine derivatives depends on the nature of the substituents and were found to show similar to 10(5) times improved electrical conductivity in comparison to parent unsubstituted copper phthalocyanine. Interestingly, these substituted complexes after iodine doping showed remarkably increased electrical conductivity nearly 10(12) times that of unsubstituted copper phthalocyanine. This may be accounted for by the decrease in the metal-metal bond distance, increase in the approach of the ideal eclipsed system, or due to the combined effects of the above factors.

  DOI：

  10.1139/cjc-77-10-1690