3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6,14-dicarbonitrile | 70546-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6,14-dicarbonitrile
• 英文别名: 17-(Diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12,21-dicarbonitrile
• CAS: 70546-16-6
• 化学式: C₂₄H₁₈N₆O
• 分子量: 406.447
• InChiKey: KFDPHSKCUJUDAG-UHFFFAOYSA-N

物化性质

• 沸点：
  522.7±60.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6,14-dicarbonitrile 、 4-(氯磺酰)苯甲酸 在 吡啶 作用下， 以42%的产率得到4-({6,14-dicyano-3-(diethylamino)-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazol-7-ylidene}amino)sulfonyl benzoic acid
  参考文献：
  名称：

  The synthesis and optical characterization of novel iminocoumarin derivatives

  摘要：

  A series of novel long-wavelength, fluorescent, novel iminocoumarin derived dyes were synthesized by extending the pi-conjugation and spatial location of the benzimidazolic and iminochromene rings in a planar structure. Several dyes display a fluorescent maxima >= 600 nm whilst others showed fluorescent maxima in the NIR region. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.10.020
• 作为产物：
  描述：

  在 溴 作用下， 反应 1.0h， 生成 3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6,14-dicarbonitrile
  参考文献：
  名称：

  The synthesis and optical characterization of novel iminocoumarin derivatives

  摘要：

  A series of novel long-wavelength, fluorescent, novel iminocoumarin derived dyes were synthesized by extending the pi-conjugation and spatial location of the benzimidazolic and iminochromene rings in a planar structure. Several dyes display a fluorescent maxima >= 600 nm whilst others showed fluorescent maxima in the NIR region. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.10.020