2-(1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[3H-phthalazine-4,9'-xanthene]-1-one | 1449567-45-6

• 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-(1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[3H-phthalazine-4,9'-xanthene]-1-one
• CAS: 1449567-45-6
• 化学式: C₃₅H₃₅N₅O₂S
• 分子量: 589.761
• InChiKey: WSHNRZBBSYMKJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  89.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[3H-phthalazine-4,9'-xanthene]-1-one 、 mercury dichloride 以 氯仿 、 乙腈 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Six-Membered Spirocycle Triggered Probe for Visualizing Hg²⁺ in Living Cells and Bacteria–EPS–Mineral Aggregates

  摘要：

  A novel rhodamine based probe with a unique six-membered spirocycle was rationally designed for detection of Hg2+ with greatly improved selectivity, sensitivity, and photostability. The probe has been shown to be suitable for Hg2+ imaging in living cells and mapping Hg2+ distribution in living cell-EPS-mineral aggregates under anoxic conditions.

  DOI：

  10.1021/ol401795m
• 作为产物：
  描述：

  苯并噻唑 在 三乙胺 、 肼 作用下， 以 乙腈 为溶剂， 反应 8.0h， 生成 2-(1,3-benzothiazol-2-yl)-3',6'-bis(diethylamino)spiro[3H-phthalazine-4,9'-xanthene]-1-one
  参考文献：
  名称：

  Six-Membered Spirocycle Triggered Probe for Visualizing Hg²⁺ in Living Cells and Bacteria–EPS–Mineral Aggregates

  摘要：

  A novel rhodamine based probe with a unique six-membered spirocycle was rationally designed for detection of Hg2+ with greatly improved selectivity, sensitivity, and photostability. The probe has been shown to be suitable for Hg2+ imaging in living cells and mapping Hg2+ distribution in living cell-EPS-mineral aggregates under anoxic conditions.

  DOI：

  10.1021/ol401795m