1,7-di(hex-1-ynyl)-N,N'-bis(1-ethylpropyl)perylene-3,4,9,10-tetracarboxylic acid bisimide | 1325731-47-2

• 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: 1,7-di(hex-1-ynyl)-N,N'-bis(1-ethylpropyl)perylene-3,4,9,10-tetracarboxylic acid bisimide
• 英文别名: 11,22-Bis(hex-1-ynyl)-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone；11,22-bis(hex-1-ynyl)-7,18-di(pentan-3-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• CAS: 1325731-47-2
• 化学式: C₄₆H₄₆N₂O₄
• 分子量: 690.882
• InChiKey: JLPWBGLPDWVSTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基戊烷 在 咪唑 、 copper(l) iodide 、 四(三苯基膦)钯 、 溴 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 114.0h， 生成 1,7-di(hex-1-ynyl)-N,N'-bis(1-ethylpropyl)perylene-3,4,9,10-tetracarboxylic acid bisimide
  参考文献：
  名称：

  Syntheses and Properties of 1,6 and 1,7 Perylene Diimides and Tetracarboxylic Dianhydrides

  摘要：

  Via Sonogashira cross-coupling with different alkynes, 1,6 and 1,7 peryiene dilmides (PDIs) and perylene tetracarboxylic dianhydrides (PTCDs) were synthesized from the corresponding regioisomeric mixture of 1,6/1,7-dibromo precursors. Both bulky triphenyl propyne (TPP) groups and nonbulky hexyl groups allow for facile chromatographic separation. The optical properties of these compounds are discussed. Neutral bay substituents hypsochromically shift both the absorption and emission through deformation from planarity of the perylene core.

  DOI：

  10.1021/ol2019407

文献信息

• Syntheses and Properties of 1,6 and 1,7 Perylene Diimides and Tetracarboxylic Dianhydrides
  作者：Nisha V. Handa、Kayla D. Mendoza、Laura D. Shirtcliff

  DOI：10.1021/ol2019407

  日期：2011.9.2

  Via Sonogashira cross-coupling with different alkynes, 1,6 and 1,7 peryiene dilmides (PDIs) and perylene tetracarboxylic dianhydrides (PTCDs) were synthesized from the corresponding regioisomeric mixture of 1,6/1,7-dibromo precursors. Both bulky triphenyl propyne (TPP) groups and nonbulky hexyl groups allow for facile chromatographic separation. The optical properties of these compounds are discussed. Neutral bay substituents hypsochromically shift both the absorption and emission through deformation from planarity of the perylene core.