| 1443543-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1443543-79-0
• 化学式: C₄₅H₄₀N₄O₂
• 分子量: 668.838
• InChiKey: KXRJSKWLDBSCMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.16
• 重原子数：
  51.0
• 可旋转键数：
  8.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  48.38
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 mercury (II) perchlorate trihydrate 作用下， 以 乙醇 、 水 为溶剂， 生成 3,6-bis(diethylamino)-9-(2-(hydrazinecarbonyl)phenyl)xanthylium
  参考文献：
  名称：

  Rhodamine–pyrene conjugated chemosensors for ratiometric detection of Hg2+ ions: Different sensing behavior between a spirolactone and a spirothiolactone

  摘要：

  Two novel rhodamine-pyrene conjugated chemosensors were successfully designed and synthesized, which exhibited high affinity to Hg2+ ions. As ratiometric chemosensors, each displayed highly selective and sensitive colorimetric and fluorogenic dual-responses toward Hg2+. The comparison of two chemosensors indicated that the spirothiolactone containing sensor was superior to the spirolactone analog in sensing behavior when detecting Hg2+, presumably due to the thiophilic nature of mercury and the different sensing mechanisms in operation. Upon interaction with Hg2+, the spirothiolactone showed a 1:1 stoichiometry for the Hg2+ complex, accompanied with a weakened fluorescence resonance energy transfer (FRET) behavior. However, the spirolactone was hydrolyzed and consequently induced the monomer-excimer switch of the resulted pyrene in the presence of Hg2+ ions. Crown Copyright (c) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.02.019
• 作为产物：
  描述：

  1-芘甲醛 、 若丹明B酰肼 以 甲醇 为溶剂， 反应 12.0h， 以63%的产率得到
  参考文献：
  名称：

  Rhodamine–pyrene conjugated chemosensors for ratiometric detection of Hg2+ ions: Different sensing behavior between a spirolactone and a spirothiolactone

  摘要：

  Two novel rhodamine-pyrene conjugated chemosensors were successfully designed and synthesized, which exhibited high affinity to Hg2+ ions. As ratiometric chemosensors, each displayed highly selective and sensitive colorimetric and fluorogenic dual-responses toward Hg2+. The comparison of two chemosensors indicated that the spirothiolactone containing sensor was superior to the spirolactone analog in sensing behavior when detecting Hg2+, presumably due to the thiophilic nature of mercury and the different sensing mechanisms in operation. Upon interaction with Hg2+, the spirothiolactone showed a 1:1 stoichiometry for the Hg2+ complex, accompanied with a weakened fluorescence resonance energy transfer (FRET) behavior. However, the spirolactone was hydrolyzed and consequently induced the monomer-excimer switch of the resulted pyrene in the presence of Hg2+ ions. Crown Copyright (c) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.02.019