2-(trimethylsilyl)ethyl N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)-L-lysinate | 1391829-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-(trimethylsilyl)ethyl N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)-L-lysinate
• CAS: 1391829-79-0
• 化学式: C₄₂H₄₉N₃O₇Si
• 分子量: 735.952
• InChiKey: YQQNNGZDCJGZER-BHVANESWSA-N

物化性质

• 沸点：
  932.0±65.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  53.0
• 可旋转键数：
  13.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  127.18
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-(trimethylsilyl)ethyl N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)-L-lysinate 在 吗啉 、 N-甲基吗啉 、 2-氯-4,6-二甲氧基-1,3,5-三嗪 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.25h， 生成 2-(trimethylsilyl)ethyl N6-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)-N2-((2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)acetyl)-L-isoleucyl)-L-lysinate
  参考文献：
  名称：

  Rational design and efficient synthesis of a fluorescent-labeled jasmonate

  摘要：

  A fluorescent-labeled jasmonate was rationally designed based on examination of the model of interaction between the jasmonate and its receptor. An efficient synthetic route has been developed for this molecule. The biological activity of this fluorescent probe was retained which was similar to that of the methyl jasmonate as examined by root growth inhibition bioassay. This fluorescent probe will greatly facilitate biological studies of jasmonates through fluorescent imaging. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.006
• 作为产物：
  描述：

  3-氨基苯酚 在 哌啶 、 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 草酰氯 、 碳酸氢钠 、 N,N-二甲基甲酰胺 、 N,N'-二环己基碳二亚胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 氯仿 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 33.5h， 生成 2-(trimethylsilyl)ethyl N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)-L-lysinate
  参考文献：
  名称：

  Rational design and efficient synthesis of a fluorescent-labeled jasmonate

  摘要：

  A fluorescent-labeled jasmonate was rationally designed based on examination of the model of interaction between the jasmonate and its receptor. An efficient synthetic route has been developed for this molecule. The biological activity of this fluorescent probe was retained which was similar to that of the methyl jasmonate as examined by root growth inhibition bioassay. This fluorescent probe will greatly facilitate biological studies of jasmonates through fluorescent imaging. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.006