tetrakis(3-tert-butyl-4-methoxyphenoxy)phthalocyanine | 1351258-73-5

• 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: tetrakis(3-tert-butyl-4-methoxyphenoxy)phthalocyanine
• 英文别名: 7,16,25,34-Tetrakis(3-tert-butyl-4-methoxyphenoxy)-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；7,16,25,34-tetrakis(3-tert-butyl-4-methoxyphenoxy)-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: 1351258-73-5
• 化学式: C₇₆H₇₄N₈O₈
• 分子量: 1227.47
• InChiKey: KELYVNIEVYFGCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19
• 重原子数：
  92
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  4-(3-tert-butyl-4-methoxyphenoxy)phthalonitrile 在 lithium 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 为溶剂， 反应 5.0h， 以41%的产率得到tetrakis(3-tert-butyl-4-methoxyphenoxy)phthalocyanine
  参考文献：
  名称：

  Synthesis and characterization of solubility enhanced metal-free phthalocyanines for liquid crystal display black matrix of low dielectric constant

  摘要：

  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.

  DOI：

  10.1016/j.dyepig.2011.08.001