17-Diethoxyphosphoryl-5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-ene | 1235289-39-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 17-Diethoxyphosphoryl-5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-ene
• 英文别名: 17-diethoxyphosphoryl-5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-ene
• CAS: 1235289-39-0
• 化学式: C₁₅H₂₇O₆PS₄
• 分子量: 462.614
• InChiKey: AMWHZSPTCGOJES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  164
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,6-bis(trimethylsilylethynyl)-9,10-anthraquinone 、 17-Diethoxyphosphoryl-5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-ene 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以54%的产率得到Trimethyl-[2-[6-(2-trimethylsilylethynyl)-9,10-bis(5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-en-17-ylidene)anthracen-2-yl]ethynyl]silane
  参考文献：
  名称：

  Biscrown-Annulated TTFAQ−Dianthracene Hybrid: Synthesis, Structure, and Metal Ion Sensing

  摘要：

  A new fluorescence chemosensor (3) made up of a biscrown-annulated TTFAQ receptor and two anthracene fluorophores was designed and synthesized. Its solid-state structure was disclosed by X-ray crystallographic analysis, while fluorescence titrations indicated a high sensitivity for large hard metal cations such as Ba2+.

  DOI：

  10.1021/ol1010467
• 作为产物：
  描述：

  、 亚磷酸三乙酯 以 乙腈 为溶剂， 反应 3.0h， 以35%的产率得到17-Diethoxyphosphoryl-5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-ene
  参考文献：
  名称：

  Biscrown-Annulated TTFAQ−Dianthracene Hybrid: Synthesis, Structure, and Metal Ion Sensing

  摘要：

  A new fluorescence chemosensor (3) made up of a biscrown-annulated TTFAQ receptor and two anthracene fluorophores was designed and synthesized. Its solid-state structure was disclosed by X-ray crystallographic analysis, while fluorescence titrations indicated a high sensitivity for large hard metal cations such as Ba2+.

  DOI：

  10.1021/ol1010467

文献信息

• Biscrown-Annulated TTFAQ−Dianthracene Hybrid: Synthesis, Structure, and Metal Ion Sensing
  作者：Min Shao、Prateek Dongare、Louise N. Dawe、David W. Thompson、Yuming Zhao

  DOI：10.1021/ol1010467

  日期：2010.7.2

  A new fluorescence chemosensor (3) made up of a biscrown-annulated TTFAQ receptor and two anthracene fluorophores was designed and synthesized. Its solid-state structure was disclosed by X-ray crystallographic analysis, while fluorescence titrations indicated a high sensitivity for large hard metal cations such as Ba2+.