4-(N,N-bis(tert-butoxycarbonylmethyl)amino)-3-(2-pyridylmethoxy)benzaldehyde | 1141226-26-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(N,N-bis(tert-butoxycarbonylmethyl)amino)-3-(2-pyridylmethoxy)benzaldehyde
• CAS: 1141226-26-7
• 化学式: C₂₅H₃₂N₂O₆
• 分子量: 456.539
• InChiKey: UPVJPKYYEQAKQI-UHFFFAOYSA-N

物化性质

• 沸点：
  569.1±50.0 °C(predicted)
• 密度：
  1.173±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  95.03
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-(N,N-bis(tert-butoxycarbonylmethyl)amino)-3-(2-pyridylmethoxy)benzaldehyde 、 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以78%的产率得到4-(N,N-bis(tert-butoxycarbonylmethyl)amino)-3-(2-pyridylmethoxy)-4'-ethoxycarbonyl-2'-nitrostilben
  参考文献：
  名称：

  Development of ratiometric fluorescent probe for zinc ion based on indole fluorophore

  摘要：

  A water-soluble ratiometric fluorescent probe ZID-1 has been developed on the basis of an internal charge transfer (ICT) mechanism. Upon complexation with Zn2+ under physiological conditions, ZID-1 exhibits a significant blue shift of 77 nm in the emission spectrum. The fluorescent behavior of ZID-1 suggests that the pyridyl group incorporated into the fluorophore coordinates the metal ion as the fourth 2 ligand and affords an appropriate binding affinity (K-d = 17.1 nM) for the intracellular imaging of Zn2+. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.026
• 作为产物：
  描述：

  N,N-bis(tert-butoxycarbonylmethyl)-2-(2-pyridylmethoxy)aniline 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以77%的产率得到4-(N,N-bis(tert-butoxycarbonylmethyl)amino)-3-(2-pyridylmethoxy)benzaldehyde
  参考文献：
  名称：

  Development of ratiometric fluorescent probe for zinc ion based on indole fluorophore

  摘要：

  A water-soluble ratiometric fluorescent probe ZID-1 has been developed on the basis of an internal charge transfer (ICT) mechanism. Upon complexation with Zn2+ under physiological conditions, ZID-1 exhibits a significant blue shift of 77 nm in the emission spectrum. The fluorescent behavior of ZID-1 suggests that the pyridyl group incorporated into the fluorophore coordinates the metal ion as the fourth 2 ligand and affords an appropriate binding affinity (K-d = 17.1 nM) for the intracellular imaging of Zn2+. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.026