1-(5-chloro-2-methylthien-3-yl)-2-[2-methyl-5-(4-dodecyloxyphenyl)thien-3-yl]cyclopentene | 1178972-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(5-chloro-2-methylthien-3-yl)-2-[2-methyl-5-(4-dodecyloxyphenyl)thien-3-yl]cyclopentene
• 英文别名: 3-[2-(5-Chloro-2-methylthiophen-3-yl)cyclopenten-1-yl]-5-(4-dodecoxyphenyl)-2-methylthiophene
• CAS: 1178972-00-3
• 化学式: C₃₃H₄₃ClOS₂
• 分子量: 555.289
• InChiKey: JHOFHHPLAPVYNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.6
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  1-bromo-4-dodecyloxybenzene 、 1-(5-chloro-2-methylthien-3-yl)-2-[5-(dibutoxyboryl)-2-methylthien-3-yl]cyclopentene 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 18.0h， 以660 mg的产率得到1-(5-chloro-2-methylthien-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