(2-(((3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)imino)methyl)phenyl)boronic acid | 1099599-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2-(((3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)imino)methyl)phenyl)boronic acid
• CAS: 1099599-97-9
• 化学式: C₃₅H₃₇BN₄O₄
• 分子量: 588.514
• InChiKey: UKWKXIHQVFTFLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  44.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  88.84
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  铜 、 (2-(((3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)imino)methyl)phenyl)boronic acid 在 4-羟乙基哌嗪乙磺酸 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Boronic acid-linked fluorescent and colorimetric probes for copper ions

  摘要：

  报道了首批硼酸连接的荧光和比色铜离子化学传感器；单硼酸连接的罗丹明探针对多种金属离子中的Cu2+显示出高度选择性的荧光增强，而双硼酸连接的荧光素探针的荧光则通过Cu2+选择性淬灭，这可能是通过PET机制实现的。

  DOI：

  10.1039/b814167c
• 作为产物：
  描述：

  在 乙二胺四乙酸 作用下， 以 乙醇 为溶剂， 生成 (2-(((3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)imino)methyl)phenyl)boronic acid
  参考文献：
  名称：

  A multifunctional Schiff base as a fluorescence sensor for Fe3+ and Zn2+ ions, and a colorimetric sensor for Cu2+ and applications

  摘要：

  Chemosensors play important parts in the selective recognition of ions, which is widely applied in various fields of environment, industry and biological sciences. In this work, a chemosensor for multi-metal-ions based on rhodamine B derivative was synthesized, which could selectively recognize various metal ions in different solvent system. The addition of Cu2+ caused the color change from colorless to pink in EtOH/H2O (v/v = 1:1) solvent system, which could be quickly identified by the naked eyes with a detection limit of 827 x 10(-8) M. In ethanol solution system, the addition of Fe3+ and Zn2+ caused different fluorescence changes with the detection limit of 2.12 x 10(-7) M and 6.64 x 10(-7) M respectively. The binding ratios are 1:1 (1-Cu2+), 2:1 (1-Fe3+) and 1:1 (1-Zn2+), respectively. Meanwhile, the probe 1 was used to detect the trace metal ions in real water samples. Besides, the probe 1 showed sensitive fluorescence signals for Fe3+ in biological cells. The experimental results further verify the application value of the sensor. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2016.10.028