4-Pyren-1-ylbutyl 2-[(4-ethoxyphenyl)-[2-oxo-2-(4-pyren-1-ylbutoxy)ethyl]sulfanylmethyl]sulfanylacetate | 1452863-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4-Pyren-1-ylbutyl 2-[(4-ethoxyphenyl)-[2-oxo-2-(4-pyren-1-ylbutoxy)ethyl]sulfanylmethyl]sulfanylacetate
• CAS: 1452863-03-4
• 化学式: C₅₃H₄₈O₅S₂
• 分子量: 829.093
• InChiKey: PPQOOMLEONDQSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  60
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-Pyren-1-ylbutyl 2-[(4-ethoxyphenyl)-[2-oxo-2-(4-pyren-1-ylbutoxy)ethyl]sulfanylmethyl]sulfanylacetate 、 alkaline earth salt of/the/ methylsulfuric acid 以 乙腈 为溶剂， 反应 0.17h， 生成 bis(acetic acid thiolato)mercury(II) 、 4-(1-芘基)-1-丁醇 、 4-乙氧基苯甲醛
  参考文献：
  名称：

  Reaction-based Hg2+ signaling by excimer–monomer switching of a bis-pyrene dithioacetal

  摘要：

  A novel reaction-based probe for fluorescence signaling of Hg2+ ions was developed. Selective Hg2+-induced cleavage of a dithioacetal resulting in switching from pyrene excimer to monomer emission was used for the signaling. Changes in excimer and monomer emissions of pyrene were readily employed for ratiometric signaling of Hg2+ ions in aqueous acetonitrile. Selective signaling of Hg2+ ions over other common metal ions was observed with a detection limit of 9.8 x 10(-7) M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.109
• 作为产物：
  描述：

  4-乙氧基苯甲醛 在 碘 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 4-Pyren-1-ylbutyl 2-[(4-ethoxyphenyl)-[2-oxo-2-(4-pyren-1-ylbutoxy)ethyl]sulfanylmethyl]sulfanylacetate
  参考文献：
  名称：

  Reaction-based Hg2+ signaling by excimer–monomer switching of a bis-pyrene dithioacetal

  摘要：

  A novel reaction-based probe for fluorescence signaling of Hg2+ ions was developed. Selective Hg2+-induced cleavage of a dithioacetal resulting in switching from pyrene excimer to monomer emission was used for the signaling. Changes in excimer and monomer emissions of pyrene were readily employed for ratiometric signaling of Hg2+ ions in aqueous acetonitrile. Selective signaling of Hg2+ ions over other common metal ions was observed with a detection limit of 9.8 x 10(-7) M. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.109