N-amino-N'-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic-bisimide | 217440-35-2

• 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-amino-N'-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic-bisimide
• 英文别名: 7-Amino-18-nonan-5-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: 217440-35-2
• 化学式: C₃₃H₂₉N₃O₄
• 分子量: 531.611
• InChiKey: JVQDAWZIRKILTI-UHFFFAOYSA-N

物化性质

• 沸点：
  773.5±52.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic-3,4-anhydride-9,10-imide 、 N-amino-N'-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic-bisimide 在 咪唑 作用下， 以41%的产率得到9,9'-Di(nonan-5-yl)-1H,1'H-[2,2'-bianthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin]-1,1',3,3',8,8',10,10'(9H,9'H)-octaone
  参考文献：
  名称：

  Intense Dyes through Chromophore-Chromophore Interactions: Bi- and Trichromophoric Perylene-3,4:9,10-bis(dicarboximide)s

  摘要：

  Simple perylene dyes, which are known for their high extinction coefficients, are converted into intense and highly fluorescent (at ca. 540 nm) dyes such as 1 by a directed chromophore-chromophore coupling. Molar extinction coefficients of more than 400 000 L mol-1 cm-1 are attained. R = CH(C6 H13 )2 , CH(C7 H15 )2 , CH(C9 H19 )2 .

  DOI：

  10.1002/(sici)1521-3773(19980420)37:7<952::aid-anie952>3.0.co;2-4
• 作为产物：
  描述：

  N-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic-3,4-anhydride-9,10-imide 在 咪唑 、 一水合肼 作用下， 生成 N-amino-N'-(1-butylpentyl)perylene-3,4:9,10-tetracarboxylic-bisimide
  参考文献：
  名称：

  Intense Dyes through Chromophore-Chromophore Interactions: Bi- and Trichromophoric Perylene-3,4:9,10-bis(dicarboximide)s

  摘要：

  Simple perylene dyes, which are known for their high extinction coefficients, are converted into intense and highly fluorescent (at ca. 540 nm) dyes such as 1 by a directed chromophore-chromophore coupling. Molar extinction coefficients of more than 400 000 L mol-1 cm-1 are attained. R = CH(C6 H13 )2 , CH(C7 H15 )2 , CH(C9 H19 )2 .

  DOI：

  10.1002/(sici)1521-3773(19980420)37:7<952::aid-anie952>3.0.co;2-4

文献信息

• The Identification of Carbonyl Compounds by Fluorescence: A Novel Carbonyl-Derivatizing Reagent
  作者：Heinz Langhals、Wolfgang Jona

  DOI：10.1002/(sici)1521-3765(19981102)4:11<2110::aid-chem2110>3.0.co;2-j

  日期：1998.11.2
• Intense Dyes through Chromophore-Chromophore Interactions: Bi- and Trichromophoric Perylene-3,4:9,10-bis(dicarboximide)s
  作者：Heinz Langhals、Wolfgang Jona

  DOI：10.1002/(sici)1521-3773(19980420)37:7<952::aid-anie952>3.0.co;2-4

  日期：1998.4.20

  Simple perylene dyes, which are known for their high extinction coefficients, are converted into intense and highly fluorescent (at ca. 540 nm) dyes such as 1 by a directed chromophore-chromophore coupling. Molar extinction coefficients of more than 400 000 L mol-1 cm-1 are attained. R = CH(C6 H13 )2 , CH(C7 H15 )2 , CH(C9 H19 )2 .