4-(4-benzoylphenoxy)phthalonitrile | 301208-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-benzoylphenoxy)phthalonitrile
• 英文别名: CAP4270；4-(4-Benzoylphenoxy)-2-cyanophenyl cyanide；4-(4-benzoylphenoxy)benzene-1,2-dicarbonitrile
• CAS: 301208-05-9
• 化学式: C₂₁H₁₂N₂O₂
• 分子量: 324.338
• InChiKey: KNQWLJCLIDFYFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲腈 、 4-羟基-二苯甲酮 在 lithium hydroxide monohydrate 作用下， 以 二甲基亚砜 为溶剂， 反应 72.0h， 以83.02%的产率得到4-(4-benzoylphenoxy)phthalonitrile
  参考文献：
  名称：

  Synthesis and electrochemical properties of a series of novel tetra(4-benzoyl)phenoxyphthalocyanine derivatives

  摘要：

  一种新型的酞菁，2,9(10),16(17),23(24)-四(4-苯甲酰)酚氧酞菁及其与Zn(II)、Cu(II)、Co(II)和Ni(II)的配合物已经合成并通过元素分析、红外光谱(IR)、1H NMR、紫外-可见光谱和质谱进行了表征。所有材料在常见有机溶剂中（如二氯甲烷、氯仿、四氢呋喃、N,N-二甲基甲酰胺和二甲基亚砜）具有很好的溶解度。配合物的Q带波长按以下顺序减小：Zn > Cu > Ni > Co。观察到游离酞菁在−1.06 V、−0.74 V、0.51 V和0.98 V处的氧还原过程，Co(II)配合物在−0.72 V和1.04 V处，Cu(II)配合物在−1.24 V、−0.77 V、−0.24 V、0.61 V和0.91 V处，Ni(II)配合物在−0.74 V和1.20 V处。四个物种的酞菁环的循环伏安图相似，均涉及一个电子转移过程的还原和氧化偶。

  DOI：

  10.1007/s11426-012-4675-x

文献信息

• PHARMACOLOGICAL AGENTS FOR TREATING OCULAR DISEASES
  申请人：CALASIA PHARMACEUTICALS, INC.

  公开号：US20210154213A1

  公开（公告）日：2021-05-27

  Methods of treating presbyopia or cataract in a subject in need thereof are provided. The methods require administering to the subject an effective amount of a composition comprising a compound that inhibits the formation of high molecular weight aggregates of human α-A-crystallin. Compositions containing certain compounds are believed to be also effective in the treatment of transthyretin (TTR)-associated amyloidosis and Parkinson's disease.
• Synthesis and electrochemical properties of a series of novel tetra(4-benzoyl)phenoxyphthalocyanine derivatives
  作者：Kun Wang、Qiang Fu、JiCheng Ma、WeiLi Li、WenJu Li、Yang Hou、LiLi Chen、BaoZhong Zhao

  DOI：10.1007/s11426-012-4675-x

  日期：2012.9

  A novel phthalocyanine, 2,9(10),16(17),23(24)-tetra(4-benzoyl)phenoxyphthalocyanine, and its complexes with Zn(II), Cu(II), Co(II), and Ni(II) have been synthesized and characterized by a combination of elemental analysis, IR, 1H NMR, UV-vis spectroscopy and mass spectrometry. All of the materials are very soluble in common organic solvents such as dichloromethane, chloroform, tetrahydrofuran, N,N-dimethylformamide and dimethyl sulfoxide. The Q band wavelengths of the complexes decrease in the order: Zn > Cu > Ni > Co. Redox processes were observed at −1.06, −0.74, 0.51 and 0.98 V for the free phthalocyanine, at −0.72 and 1.04 V for the Co(II) complex, at −1.24, −0.77, −0.24, 0.61 and 0.91 V for the Cu(II) complex, and at −0.74 and 1.20 V for the Ni(II) complex. The cyclic voltammograms of the phthalocyanine ring of the four species are similar, with reduction and oxidation couples each involving a one-electron transfer process.

  一种新型的酞菁，2,9(10),16(17),23(24)-四(4-苯甲酰)酚氧酞菁及其与Zn(II)、Cu(II)、Co(II)和Ni(II)的配合物已经合成并通过元素分析、红外光谱(IR)、1H NMR、紫外-可见光谱和质谱进行了表征。所有材料在常见有机溶剂中（如二氯甲烷、氯仿、四氢呋喃、N,N-二甲基甲酰胺和二甲基亚砜）具有很好的溶解度。配合物的Q带波长按以下顺序减小：Zn > Cu > Ni > Co。观察到游离酞菁在−1.06 V、−0.74 V、0.51 V和0.98 V处的氧还原过程，Co(II)配合物在−0.72 V和1.04 V处，Cu(II)配合物在−1.24 V、−0.77 V、−0.24 V、0.61 V和0.91 V处，Ni(II)配合物在−0.74 V和1.20 V处。四个物种的酞菁环的循环伏安图相似，均涉及一个电子转移过程的还原和氧化偶。