9-((5-methyl-1H-pyrrol-2-yl)(5-methyl-2H-pyrrol-2-ylidene)methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline | 1608461-82-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-((5-methyl-1H-pyrrol-2-yl)(5-methyl-2H-pyrrol-2-ylidene)methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline
• CAS: 1608461-82-0
• 化学式: C₂₃H₂₅N₃
• 分子量: 343.472
• InChiKey: FKBBKFZWQIYAOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  31.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  三氟化硼乙醚 、 9-((5-methyl-1H-pyrrol-2-yl)(5-methyl-2H-pyrrol-2-ylidene)methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以62%的产率得到5,5-difluoro-3,7-dimethyl-10-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)-5H-5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium
  参考文献：
  名称：

  Low molecular weight Neutral Boron Dipyrromethene (Bodipy) dyads for fluorescence-based neural imaging

  摘要：

  The neutral low molecular weight julolidine-based borondipyrromethene (Bodipy) dyads JULBD and MJULBD were used for fast voltage-sensitive dye imaging of neurons in the crab stomatogastric ganglion. The fluorescence modulation of the dyads mirrors alterations in the membrane potential of the imaged neurons. The toxicity of the dyes towards the neurons is related to their structure in that methyl groups at the 3,5 positions results in reduced toxic effects. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.02.026
• 作为产物：
  描述：

  2-甲基吡咯 、 9-醛基久洛尼定 在 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以40%的产率得到9-((5-methyl-1H-pyrrol-2-yl)(5-methyl-2H-pyrrol-2-ylidene)methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline
  参考文献：
  名称：

  Low molecular weight Neutral Boron Dipyrromethene (Bodipy) dyads for fluorescence-based neural imaging

  摘要：

  The neutral low molecular weight julolidine-based borondipyrromethene (Bodipy) dyads JULBD and MJULBD were used for fast voltage-sensitive dye imaging of neurons in the crab stomatogastric ganglion. The fluorescence modulation of the dyads mirrors alterations in the membrane potential of the imaged neurons. The toxicity of the dyes towards the neurons is related to their structure in that methyl groups at the 3,5 positions results in reduced toxic effects. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.02.026