[2-[[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethylamino]methyl]phenyl]boronic acid | 1236996-16-9

• 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-[[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethylamino]methyl]phenyl]boronic acid
• CAS: 1236996-16-9
• 化学式: C₃₇H₄₃BN₄O₄
• 分子量: 618.584
• InChiKey: PEVQUHORARHIFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  88.5
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以0.1 g的产率得到[2-[[2-[3',6'-Bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethylamino]methyl]phenyl]boronic acid
  参考文献：
  名称：

  New fluorescent and colorimetric chemosensors based on the rhodamine and boronic acid groups for the detection of Hg2+

  摘要：

  Novel rhodamine B (RB) derivatives bearing mono and bis-boronic acid groups were investigated as Hg2+ selective fluorescent and colorimetric sensors. These derivatives are first examples of reversible fluorescent chemosensors for Hg2+ which utilized boronic acid groups as binding sites. Two new RB-boronic acid derivatives displayed selective 'Off-On'-type fluorescent enhancements and distinct color changes with Hg2+. Selective fluorescent enhancement of two rhodamine derivatives was attributed to ring opening from the spirolactam (nonfluorescent) to ring-opened amide (fluorescent). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.067