1,2-dimethyl-8-(2-trimethylsilylethynyl)-3H-pyrano[3,2-e]indol-7-one | 1383941-97-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 1,2-dimethyl-8-(2-trimethylsilylethynyl)-3H-pyrano[3,2-e]indol-7-one
• CAS: 1383941-97-6
• 化学式: C₁₈H₁₉NO₂Si
• 分子量: 309.44
• InChiKey: NTUJNZCXFRKGKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  溴乙酸叔丁酯 、 1,2-dimethyl-8-(2-trimethylsilylethynyl)-3H-pyrano[3,2-e]indol-7-one 在 sodium hydride 、 水 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以55%的产率得到Tert-butyl 2-(8-ethynyl-1,2-dimethyl-7-oxopyrano[3,2-e]indol-3-yl)acetate
  参考文献：
  名称：

  A simple selective protocol for continuous two-stage fluorescent sensing of both MeHg+ and anti-MeHg+ agents in living cells

  摘要：

  Methylmercury (MeHg+) is one of the most toxic mercury species targeting human nervous systems, and deficiency of a convenient and precise appraisal model for anti-MeHg+ treatment greatly slows down the step of developing clinically useful anti-MeHg+ agents. A simple visualization model has been demonstrated in this work for selective sensing of both MeHg+ and anti-MeHg+ agents in two continuous stages of one experiment in living cells, using a newly developed fluorescent pyrrolcoumarin probe. The developed sensing protocol shows great potential in the future applications of screening and evaluation of anti-MeHg+ agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.113
• 作为产物：
  描述：

  8-bromo-1,2-dimethylpyrano[3,2-e]indol-7(3H)-one 、 三甲基乙炔基硅 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以83%的产率得到1,2-dimethyl-8-(2-trimethylsilylethynyl)-3H-pyrano[3,2-e]indol-7-one
  参考文献：
  名称：

  A simple selective protocol for continuous two-stage fluorescent sensing of both MeHg+ and anti-MeHg+ agents in living cells

  摘要：

  Methylmercury (MeHg+) is one of the most toxic mercury species targeting human nervous systems, and deficiency of a convenient and precise appraisal model for anti-MeHg+ treatment greatly slows down the step of developing clinically useful anti-MeHg+ agents. A simple visualization model has been demonstrated in this work for selective sensing of both MeHg+ and anti-MeHg+ agents in two continuous stages of one experiment in living cells, using a newly developed fluorescent pyrrolcoumarin probe. The developed sensing protocol shows great potential in the future applications of screening and evaluation of anti-MeHg+ agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.113