1,1-dimethyl-N-(6-iodohexyl)-2-[7-(N,1,1-trimethyl-1,3-dihydrobenz[e]indol-2-ylidene)-1,3,5-heptatrienyl]-1H-benz[e]indolium iodide | 1151479-67-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,1-dimethyl-N-(6-iodohexyl)-2-[7-(N,1,1-trimethyl-1,3-dihydrobenz[e]indol-2-ylidene)-1,3,5-heptatrienyl]-1H-benz[e]indolium iodide
• CAS: 1151479-67-2
• 化学式: C₄₂H₄₆IN₂*I
• 分子量: 832.65
• InChiKey: IRYMXLYSSKNGEQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.35
• 重原子数：
  46.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  6.25
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1,1-dimethyl-N-(6-iodohexyl)-2-[7-(N,1,1-trimethyl-1,3-dihydrobenz[e]indol-2-ylidene)-1,3,5-heptatrienyl]-1H-benz[e]indolium iodide 、 以 水 为溶剂， 生成
  参考文献：
  名称：

  Fluorinated squaraine as near-IR label with improved properties for the labeling of oligonucleotides

  摘要：

  A new squaraine dye with fluorinated benzothiazole rings was synthesized. This new label possesses improved photophysical properties and chemical stability as compared to the corresponding non-fluorinated and the dicyanosquaraines. These squaraines were used for the labeling of a series of oligonucleotides with various sequences, lengths, and chemistries. The conjugates involving the fluorinated squaraine possess the best properties: emission wavelength >670 nm, high quantum yields (0.27-0.39). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.029
• 作为产物：
  描述：

  2-[(1E,3E,5E)-6-(acetyl-4-hydroxyanilino)-1,3,5-hexatrienyl]-1,3,3-trimethyl-3H-indolium iodide polystyrene 、 N-(6-iodohexyl)-1,1,2-trimethyl-1H-benz[e]indolium iodide 在 N,N-二异丙基乙胺 作用下， 反应 3.0h， 以19%的产率得到1,1-dimethyl-N-(6-iodohexyl)-2-[7-(N,1,1-trimethyl-1,3-dihydrobenz[e]indol-2-ylidene)-1,3,5-heptatrienyl]-1H-benz[e]indolium iodide
  参考文献：
  名称：

  Fluorinated squaraine as near-IR label with improved properties for the labeling of oligonucleotides

  摘要：

  A new squaraine dye with fluorinated benzothiazole rings was synthesized. This new label possesses improved photophysical properties and chemical stability as compared to the corresponding non-fluorinated and the dicyanosquaraines. These squaraines were used for the labeling of a series of oligonucleotides with various sequences, lengths, and chemistries. The conjugates involving the fluorinated squaraine possess the best properties: emission wavelength >670 nm, high quantum yields (0.27-0.39). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.029