tetrakis[4-(2,4-bis-(1,1-dimethylpropyl)phenoxy)]phthalocyanine | 310397-88-7

• 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: tetrakis[4-(2,4-bis-(1,1-dimethylpropyl)phenoxy)]phthalocyanine
• 英文别名: tetrakis(2,4-bis(1,1-dimethylpropyl)phenoxy)phthalocyanine；7,16,25,34-Tetrakis[2,4-bis(2-methylbutan-2-yl)phenoxy]-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,30(37),31(36),32,34-nonadecaene
• CAS: 310397-88-7
• 化学式: C₉₆H₁₁₄N₈O₄
• 分子量: 1444.01
• InChiKey: QWULQUSISAGBCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.2
• 重原子数：
  108
• 可旋转键数：
  24
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  Zn(II) tetrakis[4-(2,4-bis-(1,1-dimethylpropyl)phenoxy)]phthalocyanine 在 吡啶 、 盐酸 作用下， 反应 36.0h， 以40%的产率得到tetrakis[4-(2,4-bis-(1,1-dimethylpropyl)phenoxy)]phthalocyanine
  参考文献：
  名称：

  Photoreduction of Carbon Dioxide to Formic Acid in Aqueous Suspension: A Comparison between Phthalocyanine/TiO2 and Porphyrin/TiO2 Catalysed Processes

  摘要：

  复合材料的制备方法是将多晶TiO2粉末与亲脂性高度支化的Cu(II)和无金属酞菁或卟啉混合，这些物质过去曾用作光降解过程的光催化剂，现已成功用于水悬浮液中二氧化碳的高效光还原，生成大量甲酸。结果表明，光敏剂的存在有利于光活性，证实了Cu(II)在环状化合物中间的重要作用。Cu(II)酞菁和Cu(II)卟啉的比较表明，Cu(II)酞菁光敏剂在二氧化碳光还原生成甲酸的过程中效率更高，这可能是由于它具有更有利的还原电位。

  DOI：

  10.3390/molecules20010396

文献信息

• Synthesis and characterization of solubility enhanced metal-free phthalocyanines for liquid crystal display black matrix of low dielectric constant
  作者：Woosung Lee、Sim Bum Yuk、Jun Choi、Dong Hyun Jung、Seung-Hoon Choi、Jongseung Park、Jae Pil Kim

  DOI：10.1016/j.dyepig.2011.08.001

  日期：2012.3

  For the liquid crystal display (LCD) black matrix (BM) with a low dielectric constant and high light absorption property, it is advantageous to employ dyes instead of carbon black or pigments. For this purpose, the dyes should have high solubility in industrial organic solvents. For improved solubility in industrial solvents, three metal-free phthalocyanines (PC), peripherally substituted with bulky groups, were synthesized and dye-based BMs were fabricated. The solubility as well as the spectral and thermal properties of the dyes were examined, and the optical, thermal and dielectric properties of a dye-based black matrix were tested. The greenish phthalocyanine dyes with high molar extinction coefficients and high thermal stability showed enhanced solubility in industrial solvents as a result of the greater steric hindrance among the dye molecules and higher affinity between the dye molecules and solvents. The dye-based BMs had low dielectric constants and exhibited superior optical properties and satisfactory thermal stability. (C) 2011 Elsevier Ltd. All rights reserved.