1-[2-methyl-5-(pyridine-4-yl)thien-3-yl]-2-[2-methyl-5-(4-(hexadecyloxy)benzene-4-yl)thien-3-yl]cyclopentene | 1084905-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[2-methyl-5-(pyridine-4-yl)thien-3-yl]-2-[2-methyl-5-(4-(hexadecyloxy)benzene-4-yl)thien-3-yl]cyclopentene
• 英文别名: 4-[4-[2-[5-(4-Hexadecoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
• CAS: 1084905-44-1
• 化学式: C₄₂H₅₅NOS₂
• 分子量: 654.037
• InChiKey: HVWDOFABSYFQEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  46
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  12-bromo-3,6,9,12-tetraoxadodecan-1-ol 、 1-[2-methyl-5-(pyridine-4-yl)thien-3-yl]-2-[2-methyl-5-(4-(hexadecyloxy)benzene-4-yl)thien-3-yl]cyclopentene 以 乙腈 为溶剂， 反应 24.0h， 以20%的产率得到1-[2-methyl-5-(N-(3,6,9,12-tetraoxadodecan-1-ol-4-yl)thien-3-yl)]-2-[2-methyl-5-(4-(hexadecyloxy)benzene-4-yl)thien-3-yl]cyclopentene
  参考文献：
  名称：

  Amphiphilic Diarylethene as a Photoswitchable Probe for Imaging Living Cells

  摘要：

  This communication reports a unique example of water-soluble and fluorescent-switchable amphiphilic diarylethene. This compound performs stable vesicle aggregation in water and shows aggregation-dependent emission in its open form. The fluorescence can be effectively switched by alternating between UV and visible light irradiation. This compound thus can stain KB cells for switchable living cell imaging with excellent resistance to fatigue.

  DOI：

  10.1021/ja8043163
• 作为产物：
  描述：

  、 4-溴吡啶盐酸盐 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 6.0h， 生成 1-[2-methyl-5-(pyridine-4-yl)thien-3-yl]-2-[2-methyl-5-(4-(hexadecyloxy)benzene-4-yl)thien-3-yl]cyclopentene
  参考文献：
  名称：

  Amphiphilic Diarylethene as a Photoswitchable Probe for Imaging Living Cells

  摘要：

  This communication reports a unique example of water-soluble and fluorescent-switchable amphiphilic diarylethene. This compound performs stable vesicle aggregation in water and shows aggregation-dependent emission in its open form. The fluorescence can be effectively switched by alternating between UV and visible light irradiation. This compound thus can stain KB cells for switchable living cell imaging with excellent resistance to fatigue.

  DOI：

  10.1021/ja8043163