3-(dibutylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile | 162039-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 英文名称: 3-(dibutylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile
• CAS: 162039-41-0
• 化学式: C₂₇H₂₇N₅O
• 分子量: 437.544
• InChiKey: MHIZJGFMAIUUQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.32
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-(dibutylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile 、 4-(氯磺酰)苯甲酸 在 吡啶 作用下， 以51%的产率得到4-({6-cyano-3-(dibutylamino)-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：

  3-(1H-benzo[d]imidazol-2-yl)-N,N-dibutyl-2-imino-2H-chromen-7-amine 、 丙二腈 以 甲乙醚 为溶剂， 反应 4.0h， 以68%的产率得到3-(dibutylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile
  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