2-[2-[[Bis(2-ethylsulfanylethyl)amino]methyl]phenyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one | 1131303-30-4

• 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-[[Bis(2-ethylsulfanylethyl)amino]methyl]phenyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
• CAS: 1131303-30-4
• 化学式: C₄₃H₅₄N₄O₂S₂
• 分子量: 723.059
• InChiKey: JPRZPWWFSVCABV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  51
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  89.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  rhodamine B acid chloride 、 N-(2-aminobenzyl)-3,9-dithia-6-azaundecane 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以188 mg的产率得到2-[2-[[Bis(2-ethylsulfanylethyl)amino]methyl]phenyl]-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
  参考文献：
  名称：

  A Rhodamine-Based Hg²⁺ Sensor with High Selectivity and Sensitivity in Aqueous Solution: A NS₂-Containing Receptor

  摘要：

  A rhodamine-based sensor 1 was designed and synthesized by in corporation the rhodamine fluorophore and ionophore NS2 with high affinity to Hg2+. Sensor 1 exhibits a high selectivity and an excellent sensitivity and is a dual-responsive colorimetric and fluorescent Hg2+-specific sensor in aqueous buffer solution. In addition, the 1:1 binding mode was proposed based on the H-1 NMR and ES(+)MS studies.

  DOI：

  10.1021/jo802297x

文献信息

• A Rhodamine-Based Hg²⁺ Sensor with High Selectivity and Sensitivity in Aqueous Solution: A NS₂-Containing Receptor
  作者：Junhai Huang、Yufang Xu、Xuhong Qian

  DOI：10.1021/jo802297x

  日期：2009.3.6

  A rhodamine-based sensor 1 was designed and synthesized by in corporation the rhodamine fluorophore and ionophore NS2 with high affinity to Hg2+. Sensor 1 exhibits a high selectivity and an excellent sensitivity and is a dual-responsive colorimetric and fluorescent Hg2+-specific sensor in aqueous buffer solution. In addition, the 1:1 binding mode was proposed based on the H-1 NMR and ES(+)MS studies.