Dibutyl 16-butyl-15,17-dioxo-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 | 1034917-79-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: Dibutyl 16-butyl-15,17-dioxo-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
• 英文别名: dibutyl 16-butyl-15,17-dioxo-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: 1034917-79-7
• 化学式: C₃₆H₃₅NO₆
• 分子量: 577.677
• InChiKey: HDXSBBVWTFAMPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  90
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 3,4,9,10-perylenetetracarboxylic-3,4-anhydride-9,10-imide 在 氢氧化钾 、 四正辛基溴化铵 作用下， 以 水 为溶剂， 反应 3.5h， 以42%的产率得到Dibutyl 16-butyl-15,17-dioxo-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
  参考文献：
  名称：

  Synthesis, electrochemical, and spectroscopic properties of soluble perylene monoimide diesters

  摘要：

  Perylene derivatives are an important class of n-type semiconductors. With the exceptions of bay-substituted and N-swallow-tail alkyl/tert-butyl substituted derivatives, most perylene diimides are insoluble. The recently reported perylene tetraesters are highly soluble, but are less electron-deficient. In this paper, a series of perylene monoimide diesters have been synthesized, which have good solubility and acceptable electron-accepting property due to the introducing of imide and ester groups in one perylene molecule. Their electrochemical properties and structural ordering were examined by cyclovoltammetry and X-ray diffraction technique, respectively. Their absorption and emission spectra are reported and discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.02.104

文献信息

• Synthesis, electrochemical, and spectroscopic properties of soluble perylene monoimide diesters
  作者：Lanying Yang、Minmin Shi、Mang Wang、Hongzheng Chen

  DOI：10.1016/j.tet.2008.02.104

  日期：2008.5

  Perylene derivatives are an important class of n-type semiconductors. With the exceptions of bay-substituted and N-swallow-tail alkyl/tert-butyl substituted derivatives, most perylene diimides are insoluble. The recently reported perylene tetraesters are highly soluble, but are less electron-deficient. In this paper, a series of perylene monoimide diesters have been synthesized, which have good solubility and acceptable electron-accepting property due to the introducing of imide and ester groups in one perylene molecule. Their electrochemical properties and structural ordering were examined by cyclovoltammetry and X-ray diffraction technique, respectively. Their absorption and emission spectra are reported and discussed. (C) 2008 Elsevier Ltd. All rights reserved.