4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol | 1365542-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
• CAS: 1365542-26-2
• 化学式: C₁₉H₁₄Cl₂N₄O
• 分子量: 385.252
• InChiKey: PZHGACZFPQUEAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.84
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.61
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol 、 氯乙酸乙酯 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以83%的产率得到ethyl 2-(4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenoxy) acetate
  参考文献：
  名称：

  A new highly selective “turn on” fluorescent sensor for zinc ion based on a pyrazoline derivative

  摘要：

  A novel pyrazoline derivative, 2-(4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid, was synthesized starting from a chalcone and 3-chloro-6-hydrazinylpyridazine and proposed for the determination of Zn2+ ion with high selectivity and a low detection limit in CH3CN:EtOH (90/10, v/v). This sensor formed a 1:1 complex with Zn2+ and showed a fluorescent enhancement with good tolerance of other metal ions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.11.014
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 为溶剂， 生成 4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
  参考文献：
  名称：

  A new highly selective “turn on” fluorescent sensor for zinc ion based on a pyrazoline derivative

  摘要：

  A novel pyrazoline derivative, 2-(4-chloro-2-(1-(6-chloropyridazin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid, was synthesized starting from a chalcone and 3-chloro-6-hydrazinylpyridazine and proposed for the determination of Zn2+ ion with high selectivity and a low detection limit in CH3CN:EtOH (90/10, v/v). This sensor formed a 1:1 complex with Zn2+ and showed a fluorescent enhancement with good tolerance of other metal ions. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.11.014