9,10-N-(n-pentylimide)perylene-3,4,9,10-tetracarboxylic acid 3,4-bis-(butyryloyl-3-hydroxypropyl) ester | 1315317-15-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-N-(n-pentylimide)perylene-3,4,9,10-tetracarboxylic acid 3,4-bis-(butyryloyl-3-hydroxypropyl) ester
• 英文别名: Bis(3-butanoyloxypropyl) 15,17-dioxo-16-pentyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate；bis(3-butanoyloxypropyl) 15,17-dioxo-16-pentyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate
• CAS: 1315317-15-7
• 化学式: C₄₃H₄₅NO₁₀
• 分子量: 735.831
• InChiKey: XYKHBFFAZOXGMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 吡啶 、 sodium 作用下， 反应 72.0h， 生成 9,10-N-(n-pentylimide)perylene-3,4,9,10-tetracarboxylic acid 3,4-bis-(butyryloyl-3-hydroxypropyl) ester
  参考文献：
  名称：

  The synthesis of novel perylene-like dyes and their aggregation properties in Langmuir and Langmuir–Blodgett films

  摘要：

  The synthesis of novel perylene-like dyes with different length and molecular structure of terminal chains substituted to the main perylene core is described. The dyes are able to form compressible and stable monolayers at the air-water interface (Langmuir films), which can be easily transferred onto solid substrates (Langmuir-Blodgett films). In the Langmuir and Langmuir-Blodgett films, the dye molecules show tendency to creation of self-aggregates, both in the ground and excited electronic states. The influence of the molecular structure of the substituents on the aggregation properties is observed and discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.03.032

文献信息

• The synthesis of novel perylene-like dyes and their aggregation properties in Langmuir and Langmuir–Blodgett films
  作者：Danuta Bauman、Robert Hertmanowski、Kamila Stefańska、Roland Stolarski

  DOI：10.1016/j.dyepig.2011.03.032

  日期：2011.12

  The synthesis of novel perylene-like dyes with different length and molecular structure of terminal chains substituted to the main perylene core is described. The dyes are able to form compressible and stable monolayers at the air-water interface (Langmuir films), which can be easily transferred onto solid substrates (Langmuir-Blodgett films). In the Langmuir and Langmuir-Blodgett films, the dye molecules show tendency to creation of self-aggregates, both in the ground and excited electronic states. The influence of the molecular structure of the substituents on the aggregation properties is observed and discussed. (C) 2011 Elsevier Ltd. All rights reserved.