2',7'-Dichloro-3',6'-dihydroxy-4',5'-bis(1,3-thiazolidin-3-ylmethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one | 1306596-43-9

• 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',7'-Dichloro-3',6'-dihydroxy-4',5'-bis(1,3-thiazolidin-3-ylmethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
• 英文别名: 2',7'-dichloro-3',6'-dihydroxy-4',5'-bis(1,3-thiazolidin-3-ylmethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
• CAS: 1306596-43-9
• 化学式: C₂₈H₂₄Cl₂N₂O₅S₂
• 分子量: 603.547
• InChiKey: OGQMIMUWMWZWDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  四氢噻唑 、 聚合甲醛 、 二氯荧光黄 以 乙腈 、 水 为溶剂， 反应 24.5h， 以73%的产率得到2',7'-Dichloro-3',6'-dihydroxy-4',5'-bis(1,3-thiazolidin-3-ylmethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
  参考文献：
  名称：

  Study on various fluorescein derivatives as pH sensors

  摘要：

  Various fluorescein derivatives were examined as fluorescent pH sensors. Fluorescein derivatives bearing benzylic amine moieties displayed opposite fluorescent changes compared to those of simple fluorescein derivatives upon pH changes. Photo-induced electron transfer (PET) mechanism controls the fluorescent changes of these derivatives. In this Letter, modulations of pK(a) values were successfully demonstrated through variations of substituent groups. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.076

文献信息

• Study on various fluorescein derivatives as pH sensors
  作者：Ha Na Kim、K.M.K. Swamy、Juyoung Yoon

  DOI：10.1016/j.tetlet.2011.02.076

  日期：2011.5

  Various fluorescein derivatives were examined as fluorescent pH sensors. Fluorescein derivatives bearing benzylic amine moieties displayed opposite fluorescent changes compared to those of simple fluorescein derivatives upon pH changes. Photo-induced electron transfer (PET) mechanism controls the fluorescent changes of these derivatives. In this Letter, modulations of pK(a) values were successfully demonstrated through variations of substituent groups. (C) 2011 Elsevier Ltd. All rights reserved.