4,5,6-trifluoro-2-phenylpyridazin-3(2H)-one | 1195770-04-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,5,6-trifluoro-2-phenylpyridazin-3(2H)-one
• 英文别名: 4,5,6-Trifluoro-2-phenylpyridazin-3-one；4,5,6-trifluoro-2-phenylpyridazin-3-one
• CAS: 1195770-04-7
• 化学式: C₁₀H₅F₃N₂O
• 分子量: 226.158
• InChiKey: BGWZORYLVDLSPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吗啉 、 4,5,6-trifluoro-2-phenylpyridazin-3(2H)-one 以 乙腈 为溶剂， 反应 8.0h， 以58%的产率得到5,6-difluoro-4-morpholino-2-phenylpyridazin-3(2H)-one
  参考文献：
  名称：

  N-Functionalised polyfluoropyridazin-3(2H)-one derivatives

  摘要：

  Pyridazin-3(2H)-one systems have very useful biological properties and have found many applications within the pharmaceutical and agrochemical industries but, in general, synthesis of polysubstituted analogues can be very difficult to achieve. An approach to the syntheses of polyfunctional pyridazinone systems involving sequential nucleophilic substitution reactions of N-aryl and N-THP protected 4,5,6-trifluoropyridazin-3(2H)-ones as the core scaffolds is described. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.08.050
• 作为产物：
  描述：

  4,5,6-trifluoropyridazin-3(2H)-one 、 苯 在 lead(IV) tetraacetate 、 zinc(II) chloride 作用下， 反应 8.0h， 以42%的产率得到4,5,6-trifluoro-2-phenylpyridazin-3(2H)-one
  参考文献：
  名称：

  N-Functionalised polyfluoropyridazin-3(2H)-one derivatives

  摘要：

  Pyridazin-3(2H)-one systems have very useful biological properties and have found many applications within the pharmaceutical and agrochemical industries but, in general, synthesis of polysubstituted analogues can be very difficult to achieve. An approach to the syntheses of polyfunctional pyridazinone systems involving sequential nucleophilic substitution reactions of N-aryl and N-THP protected 4,5,6-trifluoropyridazin-3(2H)-ones as the core scaffolds is described. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.08.050

文献信息

• N-Functionalised polyfluoropyridazin-3(2H)-one derivatives
  作者：Graham Pattison、Graham Sandford、Dmitry S. Yufit、Judith A.K. Howard、John A. Christopher、David D. Miller

  DOI：10.1016/j.tet.2009.08.050

  日期：2009.10

  Pyridazin-3(2H)-one systems have very useful biological properties and have found many applications within the pharmaceutical and agrochemical industries but, in general, synthesis of polysubstituted analogues can be very difficult to achieve. An approach to the syntheses of polyfunctional pyridazinone systems involving sequential nucleophilic substitution reactions of N-aryl and N-THP protected 4,5,6-trifluoropyridazin-3(2H)-ones as the core scaffolds is described. (c) 2009 Elsevier Ltd. All rights reserved.