2,3,9,10,16,17,23,24-octakis((1,4,7,10-tetraoxacyclododecan-2-yl)methoxy)phthalocyanine | 1239609-66-5

• 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: 2,3,9,10,16,17,23,24-octakis((1,4,7,10-tetraoxacyclododecan-2-yl)methoxy)phthalocyanine
• CAS: 1239609-66-5
• 化学式: C₁₀₄H₁₄₆N₈O₄₀
• 分子量: 2148.33
• InChiKey: JUPHDHASFJVYRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  152.0
• 可旋转键数：
  24.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  478.12
• 氢给体数：
  2.0
• 氢受体数：
  46.0

反应信息

• 作为产物：
  描述：

  4,5-bis(1,4,7,10-tetraoxacyclododecan-2-ylmethoxy)phthalonitrile 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， 反应 24.0h， 以34%的产率得到2,3,9,10,16,17,23,24-octakis((1,4,7,10-tetraoxacyclododecan-2-yl)methoxy)phthalocyanine
  参考文献：
  名称：

  Metal-free and metallophthalocyanines appending with eight 12-crown-4 ethers

  摘要：

  The metal-free phthalocyanine 2 was synthesized from the 4,5-bis(1,4,7,10-tetraoxacyclododecan-2-ylmethoxy)phthalonitrile 1 in the presence of a strong base in n-pentanol. The synthesis of metallo derivatives [Ni(II), Co(II), Cu(II)] of phthalocyanines obtained from corresponding phthalonitrile derivative 1 and in the presence of the anhydrous divalent metal salts (NiCl2, CoCl2 and CuCl2) were described. The thermal stabilities of the metal-free and metallophthalocyanines were determined by thermogravimetric analysis. These phthalocyanines were good soluble inorganic solvents such as chloroform, dichloromethane, tetrahydrofuran and DMF. The products were characterized by elemental analysis, IR, H-1 NMR, UV-vis and MS spectral data. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.04.014