N-[6-(10-methylacridin-10-ium-9-yl)hexa-1,3,5-trienyl]-N-phenylacetamide;iodide | 1202554-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-[6-(10-methylacridin-10-ium-9-yl)hexa-1,3,5-trienyl]-N-phenylacetamide;iodide
• CAS: 1202554-84-4
• 化学式: C₂₈H₂₅N₂O*I
• 分子量: 532.424
• InChiKey: ZVLUTPQJZMPDFQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  24.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3,3-三甲基-2-亚甲基吲哚啉 、 N-[6-(10-methylacridin-10-ium-9-yl)hexa-1,3,5-trienyl]-N-phenylacetamide;iodide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 C₃₂H₃₁N₂⁽¹⁺⁾*I^(1-)
  参考文献：
  名称：

  Synthesis and Spectroscopic and DNA-Binding Properties of Fluorogenic Acridine-Containing Cyanine Dyes

  摘要：

  The synthesis of a new subclass of mono- and polymethine cyanine dyes that incorporate an acridinium moiety and that absorb in the orange to near-infrared region of the spectrum is reported. The mono-, tri-, and pentamethine dyes in particular exhibit promising fluorogenic properties. Their ability to aggregate in Solution and to interact with B-DNA is also discussed.

  DOI：

  10.1021/jo901820t
• 作为产物：
  描述：

  乙酸酐 、 戊二烯醛缩二苯胺盐酸盐 、 9,10-dimethylacridinium iodide 在 吡啶 作用下， 反应 8.0h， 生成 N-[6-(10-methylacridin-10-ium-9-yl)hexa-1,3,5-trienyl]-N-phenylacetamide;iodide
  参考文献：
  名称：

  Synthesis and Spectroscopic and DNA-Binding Properties of Fluorogenic Acridine-Containing Cyanine Dyes

  摘要：

  The synthesis of a new subclass of mono- and polymethine cyanine dyes that incorporate an acridinium moiety and that absorb in the orange to near-infrared region of the spectrum is reported. The mono-, tri-, and pentamethine dyes in particular exhibit promising fluorogenic properties. Their ability to aggregate in Solution and to interact with B-DNA is also discussed.

  DOI：

  10.1021/jo901820t

文献信息

• Synthesis and Spectroscopic and DNA-Binding Properties of Fluorogenic Acridine-Containing Cyanine Dyes
  作者：Tariq Mahmood、Alexis Paul、Sylvain Ladame

  DOI：10.1021/jo901820t

  日期：2010.1.1

  The synthesis of a new subclass of mono- and polymethine cyanine dyes that incorporate an acridinium moiety and that absorb in the orange to near-infrared region of the spectrum is reported. The mono-, tri-, and pentamethine dyes in particular exhibit promising fluorogenic properties. Their ability to aggregate in Solution and to interact with B-DNA is also discussed.