N-(4-fluorophenyl)-N′-(1-hexylheptyl)perylene-3,4,9,10-tetracarboxylic diimide | 1613457-91-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: N-(4-fluorophenyl)-N′-(1-hexylheptyl)perylene-3,4,9,10-tetracarboxylic diimide
• 英文别名: 7-(4-Fluorophenyl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone；7-(4-fluorophenyl)-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1613457-91-2
• 化学式: C₄₃H₃₉FN₂O₄
• 分子量: 666.792
• InChiKey: FTLWELRXFWRLQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  十三烷-7-胺 、 3,4,9,10-苝四羧酸二酐 、 4-氟苯胺 在 咪唑 作用下， 反应 2.5h， 以46%的产率得到N-(4-fluorophenyl)-N′-(1-hexylheptyl)perylene-3,4,9,10-tetracarboxylic diimide
  参考文献：
  名称：

  One-Step Synthesis of Unsymmetrical N-Alkyl-N′-aryl Perylene Diimides

  摘要：

  An efficient and facile protocol for the synthesis of unsymmetrical N-alkyl-N'-aryl perylene diimides is reported that circumvents the need for multiple reaction steps. A number of unsymmetrical perylene diimides containing a solubilizing swallowtail alkyl group and a variety of substituted aryl groups can be prepared in a single step from a simple mixture of amines.

  DOI：

  10.1021/jo500945k

文献信息

• One-Step Synthesis of Unsymmetrical <i>N</i>-Alkyl-<i>N</i>′-aryl Perylene Diimides
  作者：Maxwell J. Robb、Brandon Newton、Brett P. Fors、Craig J. Hawker

  DOI：10.1021/jo500945k

  日期：2014.7.3

  An efficient and facile protocol for the synthesis of unsymmetrical N-alkyl-N'-aryl perylene diimides is reported that circumvents the need for multiple reaction steps. A number of unsymmetrical perylene diimides containing a solubilizing swallowtail alkyl group and a variety of substituted aryl groups can be prepared in a single step from a simple mixture of amines.