biphenyl-(N-ethylcarbazole-3-yl)ethylene ketone | 314279-79-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: biphenyl-(N-ethylcarbazole-3-yl)ethylene ketone
• 英文别名: 3-(9-Ethylcarbazol-3-yl)-1-(4-phenylphenyl)prop-2-en-1-one
• CAS: 314279-79-3
• 化学式: C₂₉H₂₃NO
• 分子量: 401.508
• InChiKey: ZNNNNYHEOJOGGW-UHFFFAOYSA-N

物化性质

• 熔点：
  76 °C(Solv: ethanol (64-17-5))
• 沸点：
  578.9±50.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  biphenyl-(N-ethylcarbazole-3-yl)ethylene ketone 、 苯肼 在 盐酸 作用下， 以 乙二醇乙醚 为溶剂， 反应 8.0h， 以47.2%的产率得到1-phenyl-3-biphenyl-5-(N-ethylcarbazole-3-yl)-2-pyrazoline
  参考文献：
  名称：

  Synthesis of 1-phenyl-3-biphenyl-5-(N-ethylcarbazole-3-yl)-2-pyrazoline and its use as DNA probe

  摘要：

  A novel pyrazoline derivative, named 1-phenyl-3-biphenyl-5-(N-ethylcarbazole-3-yl)-2-pyrazoline. was synthesized, and its Structure was confirmed by means of IR, H-1 NMR, and elementary analysis. The compound emits Strong yellow fluorescence. Decrease of fluorescence intensity of the pyrazoline derivative in the presence of calf thymus DNA (ct DNA) is observed, and the quenching obey Stern-Volmer equation. There is a single quenching mechanism for the complex, which belongs to Static quenching. KI quenching study shows that the magnitude of K-sv of the bound pyrazoline is lower than that of the free one. It is also found that ionic strength could affect the interaction. Binding constants for pyrazoline with ct DNA and salmon sperm DNA (ss DNA) are in the same order of 10(4) mol L-1, and binding site size are about 1 per base pairs. Experimental results indicate that the new compound might insert into DNA base pairs by intercalative binding mode. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.01.019
• 作为产物：
  描述：

  联苯单乙酮 、 N-乙基咔唑-3-甲醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 、 硝基苯 为溶剂， 反应 24.0h， 以33%的产率得到biphenyl-(N-ethylcarbazole-3-yl)ethylene ketone
  参考文献：
  名称：

  Synthesis of 1-phenyl-3-biphenyl-5-(N-ethylcarbazole-3-yl)-2-pyrazoline and its use as DNA probe

  摘要：

  A novel pyrazoline derivative, named 1-phenyl-3-biphenyl-5-(N-ethylcarbazole-3-yl)-2-pyrazoline. was synthesized, and its Structure was confirmed by means of IR, H-1 NMR, and elementary analysis. The compound emits Strong yellow fluorescence. Decrease of fluorescence intensity of the pyrazoline derivative in the presence of calf thymus DNA (ct DNA) is observed, and the quenching obey Stern-Volmer equation. There is a single quenching mechanism for the complex, which belongs to Static quenching. KI quenching study shows that the magnitude of K-sv of the bound pyrazoline is lower than that of the free one. It is also found that ionic strength could affect the interaction. Binding constants for pyrazoline with ct DNA and salmon sperm DNA (ss DNA) are in the same order of 10(4) mol L-1, and binding site size are about 1 per base pairs. Experimental results indicate that the new compound might insert into DNA base pairs by intercalative binding mode. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.01.019