4-(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalonitrile | 1360631-38-4

• 分子结构分类: 有机化合物
• 英文名称: 4-(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalonitrile
• 英文别名: 4-[4-Methoxy-2,5-bis(2-methylpentan-2-yl)phenoxy]benzene-1,2-dicarbonitrile
• CAS: 1360631-38-4
• 化学式: C₂₇H₃₄N₂O₂
• 分子量: 418.579
• InChiKey: XPFAPZVNADNEMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2,5-bis(1,1-dimethylbutyl)-4-methoxyphenol 、 4-硝基邻苯二甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以88.47%的产率得到4-(2,5-bis(1,1-dimethylbutyl)-4-methoxyphenoxy)phthalonitrile
  参考文献：
  名称：

  具有改进的光学性能的热稳定染料的合成和表征，用于基于染料的LCD彩色滤光片†

  摘要：

  我们已经设计并合成了六个 酞菁 染料和一种 苯并per染料，用于基于染料的绿色液晶显示器（LCD）彩色滤光片。所制备六种化合物的溶解度，光谱性质和热稳定性酞菁染料根据其异构体结构和核心金属而有所不同。将它们溶解在工业溶剂-粘合剂复合物中，并在有和没有黄补偿的情况下旋涂苯并per将染料染成基于染料的LCD彩色滤光片。与常规的基于颜料的滤色镜相比，所制备的滤色镜具有优异的光学性能，这是由于苯并per染料的粒径较小，因此光散射较小。这酞菁 在外围（β）位置取代的染料对滤色片显示出足够的热稳定性，黄色的苯并per染料有效地补偿了鲜艳的绿色光谱。

  DOI：

  10.1039/c2nj20938a

文献信息

• 컬러 필터 배열 구조용 저유전 염료형 블랙매트릭스
  申请人：KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY 한국생산기술연구원(319999029382) BRN ▼119-82-01008

  公开号：KR20210028832A

  公开（公告）日：2021-03-15

  본 발명은 컬러 필터 배열 구조용 저유전 염료형 블랙매트릭스에 관한 것으로서, 보다 상세하게는 고색강도, 넒은 흡수범위, 저유전성 및 고내구성을 갖는 테트라벤조콜로라진(tetrabenzocorrolazine) 염료, 상기 염료를 포함하는 감광성 수지 조성물, 상기 염료를 포함하는 블랙매트릭스, 상기 블랙매트릭스를 포함하는 컬러 필터에 관한 것이다.

  本发明涉及用于彩色滤光片阵列结构的低介电染料型黑色基质，更详细地说，涉及一种具有高色强度、宽吸收范围、低介电性和高耐久性的四苯并卓拉嗪（tetrabenzocorrolazine）染料，包括上述染料的感光性树脂组合物，包括上述染料的黑色基质，以及包括上述黑色基质的彩色滤光片。
• 고효율 염료감응 태양전지용 염료, 이의 제조방법 및 이를 포함하는 염료감응 태양전지
  申请人：KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY 한국생산기술연구원(319999029382) BRN ▼119-82-01008

  公开号：KR20170119453A

  公开（公告）日：2017-10-27

  본 발명은 가시광선뿐만 아니라 근적외선 영역의 강한 흡수 밴드갭을 갖는 염료감응 태양전지용 염료 및 이를 포함하는 염료감응 태양전지에 관한 것이다.

  这项发明涉及具有强烈吸收带隙的染料敏化太阳能电池用染料以及包含该染料的染料敏化太阳能电池，其不仅限于可见光谱，还包括近红外光谱范围。
• Broad-absorbing tetrabenzocorrolazine green photosensitizer for the enhanced conversion efficiency in dye-sensitized solar cells
  作者：Jun Choi、Woosung Lee、Jae P. Kim

  DOI：10.1142/s108842461650098x

  日期：2016.7

  Novel tetrabenzocorrolazine green photosensitizer was designed and synthesized to enhance the solar energy-to-electricity conversion efficiency of dye-sensitized solar cells. This near-infrared absorbing dye exhibited superior short-circuit photocurrent density induced from the additional absorption compared to the phthalocyanine dye commonly applied as a photosensitizer covering the near-infrared region in dye-sensitized solar cells. The introduction of bulky peripheral groups and axial substituents to the novel dye led to the increase of open-circuit photovoltage. As a result, the novel tetrabenzocorrolazine dye achieved a solar energy-to-electricity conversion efficiency of 3.78% under AM 1.5G conditions which was much higher than that of the phthalocyanine reference dye.

  设计并合成了新型四苯并硼嗪绿色光敏剂，以提高染料敏化太阳能电池的太阳能-电能转换效率。与通常用作染料敏化太阳能电池近红外区光敏剂的酞菁染料相比，这种近红外吸收染料因其额外吸收而表现出更高的短路光电流密度。在新型染料中引入笨重的外围基团和轴向取代基可提高开路光电压。因此，在 AM 1.5G 条件下，新型四苯并羰基嗪染料的太阳能-电能转换效率达到 3.78%，远高于酞菁参考染料。
• 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.