7,18-Bis(2-ethylhexyl)-11,22-dipyridin-4-yloxy-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 | 1239352-59-0

• 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: 7,18-Bis(2-ethylhexyl)-11,22-dipyridin-4-yloxy-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
• 英文别名: 7,18-bis(2-ethylhexyl)-11,22-dipyridin-4-yloxy-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: 1239352-59-0
• 化学式: C₅₀H₄₈N₄O₆
• 分子量: 800.954
• InChiKey: IEJHZSBINBFJBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-乙基己胺 在 吡啶 、 溴 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.5h， 生成 7,18-Bis(2-ethylhexyl)-11,22-dipyridin-4-yloxy-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
  参考文献：
  名称：

  Facile synthesis of 1-bromo-7-alkoxyl perylene diimide dyes: toward unsymmetrical functionalizations at the 1,7-positions

  摘要：

  In this Letter, we report a facile approach to synthesize unsymmetrical 1-bromo-7-alkoxyl perylene diimides by the nucleophilic substitution of one of the two 1.7-dibromo units with an alkyl alcohol using K2CO3 as the base. A further replacement of another bromo, for example, by using 4-hydroxylpyridine resulted in unsymmetrical functionalizations at the 1,7-positions. The optical properties of the unsymmetrical PDI derivative were reported and compared with those of the symmetrical derivative. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.12.080

文献信息

• Facile synthesis of 1-bromo-7-alkoxyl perylene diimide dyes: toward unsymmetrical functionalizations at the 1,7-positions
  作者：Xin Zhang、Shufeng Pang、Zhigang Zhang、Xunlei Ding、Shanlin Zhang、Shenggui He、Chuanlang Zhan

  DOI：10.1016/j.tetlet.2011.12.080

  日期：2012.2

  In this Letter, we report a facile approach to synthesize unsymmetrical 1-bromo-7-alkoxyl perylene diimides by the nucleophilic substitution of one of the two 1.7-dibromo units with an alkyl alcohol using K2CO3 as the base. A further replacement of another bromo, for example, by using 4-hydroxylpyridine resulted in unsymmetrical functionalizations at the 1,7-positions. The optical properties of the unsymmetrical PDI derivative were reported and compared with those of the symmetrical derivative. (C) 2011 Elsevier Ltd. All rights reserved.