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 | 1235289-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 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
• 英文别名: 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
• CAS: 1235289-41-4
• 化学式: C₄₆H₅₆O₆S₈Si₂
• 分子量: 1017.65
• InChiKey: WWVXTDRBWFEUPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.85
• 重原子数：
  62
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  258
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  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 在 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.5h， 以87%的产率得到17-[2,6-Diethynyl-10-(5,8,11-trioxa-2,14,16,18-tetrathiabicyclo[13.3.0]octadec-1(15)-en-17-ylidene)anthracen-9-ylidene]-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
• 作为产物：
  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