| 1379458-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1379458-92-0
• 化学式: C₆₅H₆₈N₈O₅
• 分子量: 1041.31
• InChiKey: IJHWVQRKRXTDNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.86
• 重原子数：
  78.0
• 可旋转键数：
  16.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  116.99
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  mercury(II) perchlorate 、 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  A highly selective fluorescent chemosensor for Hg2+ based on rhodamine B and its application as a molecular logic gate

  摘要：

  A novel and simple fluorescent chemosensor based on rhodamine (R-2) is designed and synthesized to detect Hg2+. Probe R-2 exhibits high selectivity and sensitivity for sensing Hg2+ with a detection limit at 10(-8) M level, and displays a significant color change from colorless to pink color in the presence of Hg2+. About a 400-fold increase in fluorescence emission intensity is observed upon binding excess Hg2+ in 50% H2O/CH3CN HEPES buffer at pH 7.00. The titration results show a 1:1 complex formation between R-2 and Hg2+. The reversibility of chemosensor R-2 is verified through its spectral response toward Hg2+ and I- titration experiments. Using Hg2+ and I- as chemical inputs and the fluorescence intensity signal as outputs, R-2 can be utilized as an INHIBIT logic gate at molecular level. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.01.002
• 作为产物：
  描述：

  2,6-二甲酰-4-甲基苯酚 、 若丹明B酰肼 以 乙醇 为溶剂， 反应 5.0h， 以74%的产率得到
  参考文献：
  名称：

  A highly selective fluorescent chemosensor for Hg2+ based on rhodamine B and its application as a molecular logic gate

  摘要：

  A novel and simple fluorescent chemosensor based on rhodamine (R-2) is designed and synthesized to detect Hg2+. Probe R-2 exhibits high selectivity and sensitivity for sensing Hg2+ with a detection limit at 10(-8) M level, and displays a significant color change from colorless to pink color in the presence of Hg2+. About a 400-fold increase in fluorescence emission intensity is observed upon binding excess Hg2+ in 50% H2O/CH3CN HEPES buffer at pH 7.00. The titration results show a 1:1 complex formation between R-2 and Hg2+. The reversibility of chemosensor R-2 is verified through its spectral response toward Hg2+ and I- titration experiments. Using Hg2+ and I- as chemical inputs and the fluorescence intensity signal as outputs, R-2 can be utilized as an INHIBIT logic gate at molecular level. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.01.002