copper-tetra(2-isopropyl-5-methylphenoxy)phthalocyanine | 853363-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: copper-tetra(2-isopropyl-5-methylphenoxy)phthalocyanine
• CAS: 853363-18-5
• 化学式: C₇₂H₆₄CuN₈O₄
• 分子量: 1168.9
• InChiKey: JWPUOSMJCADGCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.02
• 重原子数：
  85.0
• 可旋转键数：
  12.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  142.46
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  4-(2-isopropyl-5-methylphenoxy)phthalonitrile 、 copper diacetate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 戊醇 为溶剂， 以52%的产率得到copper-tetra(2-isopropyl-5-methylphenoxy)phthalocyanine
  参考文献：
  名称：

  Synthesis and 1.1 μm near-infrared electrophosphorescence properties of a phenoxy-substituents copper phthalocyanine

  摘要：

  A novel copper phthalocyanine bearing phenoxy-substituents was prepared and characterized by MS and Elemental analysis. Its UV/Vis absorption and photoluminescence (PL) spectra were investigated. Organic light-emitting devices (OLEDs) were demonstrated by employing this copper phthalocyanine doped into 4,4'-N,N'-dicarbazole-biphenyl (CBP). Room-temperature electrophosphorescence was observed at about 1.1 mu m due to transitions from the first excited triplet state to the singlet ground state (T(1)-S(0)) of this CuPc. The intensity of NIR emission at lower doping concentrations (about 10 wt %) was extremely high compared with devices doped with fluorescent dyes. The results indicated that direct charge trapping appears to be the dominant mechanism.

  DOI：

  10.1134/s0036023609030139

文献信息

• Synthesis and Characterization of Several Soluble Tetraphenoxy-Substituted Copper and Zinc Phthalocyanines
  作者：Xiguang Du、Guotong Du、Chunyu Ma、Dongliang Tian、Xiaoke Hou、Yuchun Chang、Fangdi Cong、Haifeng Yu

  DOI：10.1055/s-2005-861795

  日期：——

  required for the preparation of Pcs 9-16 are prepared by a nucleophilic aromatic substitution reaction between a sterically hindered phenol derivative and 4-nitrophthalonitrile (1) or 3-nitrophthalonitrile (2). Cyclotetramerization of the resulting precursor phthalonitriles in DMAE or in pentan-1-ol catalyzed by DBU gives desired Pcs, which are well soluble in common organic solvents, such as chloroform

  描述了带有苯氧基取代基的铜和锌酞菁 (Pcs) 的合成。制备 Pcs 9-16 所需的前体是通过空间位阻酚衍生物与 4-硝基邻苯二甲腈 (1) 或 3-硝基邻苯二甲腈 (2) 之间的亲核芳族取代反应制备的。得到的前体邻苯二甲腈在 DMAE 或 DBU 催化的 pentan-1-ol 中的环四聚得到所需的 Pcs，它们很好地溶于常见的有机溶剂，如氯仿和二氯甲烷。这些 Pcs 中的每一个都由四种结构异构体组成，并通过 1H NMR、UV/Vis、IR 和质谱以及元素分析进行​​表征，与所提出的结构一致。