2(3)-tetrakis(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalocyanine | 1351258-71-3

• 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)-tetrakis(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalocyanine
• 英文别名: tetrakis(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalocyanine；7,16,25,34-Tetrakis[4-methoxy-2,5-bis(2-methylpentan-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；7,16,25,34-tetrakis[4-methoxy-2,5-bis(2-methylpentan-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: 1351258-71-3
• 化学式: C₁₀₈H₁₃₈N₈O₈
• 分子量: 1676.33
• InChiKey: ZDVYSRDYHSTSFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34.4
• 重原子数：
  124
• 可旋转键数：
  36
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2(3)-tetrakis(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalocyanine 在 吡啶 、 三溴化磷 作用下， 反应 2.0h， 以35%的产率得到hydroxyphosphorus(V) 2(3)-tetrakis(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)triazatetrabenzcorrole hydroxide
  参考文献：
  名称：

  Synthesis and characterization of novel triazatetrabenzcorrole dyes for LCD color filter and black matrix

  摘要：

  We have synthesized three novel triazatetrabenzcorrole dyes via a ring-contraction reaction to be applied as colorants for dye-based liquid crystal display color filter and black matrix. The absorption peaks of the synthesized dyes showed a red-shifted Soret band and a blue-shifted Q-band compared to phthalocyanine dyes, and this can be extremely beneficial when applied for liquid crystal display color filter and black matrix. These dyes exhibited enhanced solubility in the industrial solvents by the introduction of bulky axial substituents. The dyes were successfully spin-coated with binders on the substrate showing a lowered aggregating tendency as illustrated in the field emission scanning electron microscopy images. The spin-coated films prepared with these dyes exhibited superior optical and chromatic properties compared to the phthalocyanine-based or pigment-based ones for green color filter, even without the addition of a yellow compensating dye. In addition, they showed satisfactory dielectric properties for the black matrix of color filter on array mode. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.05.026
• 作为产物：
  描述：

  4-(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalonitrile 在 lithium 作用下， 以 乙醇 、 间二甲苯 为溶剂， 生成 2(3)-tetrakis(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalocyanine
  参考文献：
  名称：

  Synthesis and characterization of novel triazatetrabenzcorrole dyes for LCD color filter and black matrix

  摘要：

  We have synthesized three novel triazatetrabenzcorrole dyes via a ring-contraction reaction to be applied as colorants for dye-based liquid crystal display color filter and black matrix. The absorption peaks of the synthesized dyes showed a red-shifted Soret band and a blue-shifted Q-band compared to phthalocyanine dyes, and this can be extremely beneficial when applied for liquid crystal display color filter and black matrix. These dyes exhibited enhanced solubility in the industrial solvents by the introduction of bulky axial substituents. The dyes were successfully spin-coated with binders on the substrate showing a lowered aggregating tendency as illustrated in the field emission scanning electron microscopy images. The spin-coated films prepared with these dyes exhibited superior optical and chromatic properties compared to the phthalocyanine-based or pigment-based ones for green color filter, even without the addition of a yellow compensating dye. In addition, they showed satisfactory dielectric properties for the black matrix of color filter on array mode. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.05.026

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.
• Synthesis and characterization of novel triazatetrabenzcorrole dyes for LCD color filter and black matrix
  作者：Jun Choi、Woosung Lee、Jin Woong Namgoong、Tae-Min Kim、Jae Pil Kim

  DOI：10.1016/j.dyepig.2013.05.026

  日期：2013.11

  We have synthesized three novel triazatetrabenzcorrole dyes via a ring-contraction reaction to be applied as colorants for dye-based liquid crystal display color filter and black matrix. The absorption peaks of the synthesized dyes showed a red-shifted Soret band and a blue-shifted Q-band compared to phthalocyanine dyes, and this can be extremely beneficial when applied for liquid crystal display color filter and black matrix. These dyes exhibited enhanced solubility in the industrial solvents by the introduction of bulky axial substituents. The dyes were successfully spin-coated with binders on the substrate showing a lowered aggregating tendency as illustrated in the field emission scanning electron microscopy images. The spin-coated films prepared with these dyes exhibited superior optical and chromatic properties compared to the phthalocyanine-based or pigment-based ones for green color filter, even without the addition of a yellow compensating dye. In addition, they showed satisfactory dielectric properties for the black matrix of color filter on array mode. (C) 2013 Elsevier Ltd. All rights reserved.