dibutyl (4-(2-(5-(4-(dodecyloxy)phenyl)-2-methylthiophen-3-yl)cyclopent-1-en-1-yl)-5-methylthiophen-2-yl)boronate | 1178972-02-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: dibutyl (4-(2-(5-(4-(dodecyloxy)phenyl)-2-methylthiophen-3-yl)cyclopent-1-en-1-yl)-5-methylthiophen-2-yl)boronate
• CAS: 1178972-02-5
• 化学式: C₄₁H₆₁BO₃S₂
• 分子量: 676.877
• InChiKey: NPFFKTBGBDJIPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.82
• 重原子数：
  47.0
• 可旋转键数：
  24.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  dibutyl (4-(2-(5-(4-(dodecyloxy)phenyl)-2-methylthiophen-3-yl)cyclopent-1-en-1-yl)-5-methylthiophen-2-yl)boronate 、 4'-(4-溴苯基)-α,α',α''-三吡啶 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 19.0h， 以156 mg的产率得到1-[2-methyl-(5-(4-(2,6-di(pyridin-2-yl)pyridin-4-yl))phenyl)thien-3-yl]-2-[2-methyl-5-(4-dodecyloxyphenyl)thien-3-yl]cyclopentene
  参考文献：
  名称：

  Multiresponsive Switchable Diarylethene and Its Application in Bioimaging

  摘要：

  A multiresponsive fluorescent switch based on diarylethene and terpyridine units was developed. It exhibits effective switchable fluorescence which can be controlled by UV/visible light or metal Ion/EDTA In solution. More importantly, having low toxicity, It can enter live cells as a fluorescent probe and can also serve as a detector for the biological process of metal ion transmembrane transport.

  DOI：

  10.1021/ol9014267
• 作为产物：
  描述：

  硼酸三丁酯 、 1-(5-chloro-2-methylthien-3-yl)-2-[2-methyl-5-(4-dodecyloxyphenyl)thien-3-yl]cyclopentene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 6.0h， 生成 dibutyl (4-(2-(5-(4-(dodecyloxy)phenyl)-2-methylthiophen-3-yl)cyclopent-1-en-1-yl)-5-methylthiophen-2-yl)boronate
  参考文献：
  名称：

  Multiresponsive Switchable Diarylethene and Its Application in Bioimaging

  摘要：

  A multiresponsive fluorescent switch based on diarylethene and terpyridine units was developed. It exhibits effective switchable fluorescence which can be controlled by UV/visible light or metal Ion/EDTA In solution. More importantly, having low toxicity, It can enter live cells as a fluorescent probe and can also serve as a detector for the biological process of metal ion transmembrane transport.

  DOI：

  10.1021/ol9014267