8-(4-N,N-dimethylaminophenyl)pyrene-1-carboxylic acid | 867150-48-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 8-(4-N,N-dimethylaminophenyl)pyrene-1-carboxylic acid
• 英文别名: 8-[4-(dimethylamino)phenyl]pyrene-1-carboxylic acid
• CAS: 867150-48-9
• 化学式: C₂₅H₁₉NO₂
• 分子量: 365.431
• InChiKey: QQHLNQDSPDDNPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.02
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  8-(4-N,N-dimethylaminophenyl)pyrene-1-carboxylic acid 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.75h， 生成 5-[3-(8-(4-N',N'-dimethylaminophenyl)pyrene-1-carboxamido)-1-propynyl]-2'-deoxyuridine
  参考文献：
  名称：

  Monitoring DNA Structures by Dual Fluorescence of Pyrene Derivatives

  摘要：

  We have developed a nucleotide modified by a pyrene derivative with dual fluorescence. The dual fluorescence of the fluorophore, which was incorporated into DNA, was effectively controlled at ambient temperature according to DNA structural status. Our nucleoside with dual fluorescence is effective as a conceptually new probe for monitoring DNA hybridization by the color change without multilabeling with fluorescent dyes.

  DOI：

  10.1021/ja053609e
• 作为产物：
  描述：

  4-(N,N-二甲氨基)苯硼酸频那醇酯 在 sodium hydroxide 、 四(三苯基膦)钯 、 溴 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 23.0h， 生成 8-(4-N,N-dimethylaminophenyl)pyrene-1-carboxylic acid
  参考文献：
  名称：

  Monitoring DNA Structures by Dual Fluorescence of Pyrene Derivatives

  摘要：

  We have developed a nucleotide modified by a pyrene derivative with dual fluorescence. The dual fluorescence of the fluorophore, which was incorporated into DNA, was effectively controlled at ambient temperature according to DNA structural status. Our nucleoside with dual fluorescence is effective as a conceptually new probe for monitoring DNA hybridization by the color change without multilabeling with fluorescent dyes.

  DOI：

  10.1021/ja053609e