(E)-3-(4-nitrostyryl)-1-phenyl-4,5-dihydro-1H-pyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-3-(4-nitrostyryl)-1-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
• 化学式: C₁₇H₁₅N₃O₂
• 分子量: 293.325
• InChiKey: LIOJDMSJMZNHML-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.87
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58.74
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  对硝基苯乙腈 在 哌啶 、 硫酸 、 水 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 (E)-3-(4-nitrostyryl)-1-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Synthesis, optical and nonlinear optical properties of new pyrazoline derivatives

  摘要：

  We report on synthesis and optical properties of new organic compounds based on substituted pyrazole ring. The investigated pyrazoline derivatives (PRDs) exhibit efficient broadband photoluminescence which covers nearly whole visible spectrum. The experimental results are compared to quantum chemical calculations. Amplified spontaneous emission and photodegradation measurements were performed for hybrid systems based on selected PRDs doped into poly(methyl methacrylate) matrix proving the potential utility of such systems in lasing applications. Two-photon absorption (TPA) properties were characterized by the femtosecond Z-scan technique. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.10.027