2-[(2-Chloro-6-fluorophenyl)methyl]-5-[4-(hydroxymethyl)triazol-1-yl]-4-piperidin-1-ylpyridazin-3-one | 1271271-46-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-[(2-Chloro-6-fluorophenyl)methyl]-5-[4-(hydroxymethyl)triazol-1-yl]-4-piperidin-1-ylpyridazin-3-one
• 英文别名: 2-[(2-chloro-6-fluorophenyl)methyl]-5-[4-(hydroxymethyl)triazol-1-yl]-4-piperidin-1-ylpyridazin-3-one
• CAS: 1271271-46-5
• 化学式: C₁₉H₂₀ClFN₆O₂
• 分子量: 418.858
• InChiKey: VEKBTEXJAGIECX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  86.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  哌啶 、 2-(2-氯-6-氟苄基)-4,5-二氯吡嗪-3-(2H-)-酮 、 2-丙炔-1-醇 在 sodium azide 、 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以74%的产率得到2-[(2-Chloro-6-fluorophenyl)methyl]-5-[4-(hydroxymethyl)triazol-1-yl]-4-piperidin-1-ylpyridazin-3-one
  参考文献：
  名称：

  A “Click and Activate” Approach in One-Pot Synthesis of a Triazolyl-Pyridazinone Library

  摘要：

  A "click and activate" strategy was designed and executed in a four-component, stepwise condensation that led to a trisubstituted triazolyl-pyridazinone library. This one-pot process included regioselective azide substitution at 2-substituted-4,5-dichloropyridazinones, followed by a Cu(l) catalyzed triazole formation which triggered subsequent nucleophilic substitution at the neighboring position to achieve three points of diversity.

  DOI：

  10.1021/ol200183b

文献信息

• A “Click and Activate” Approach in One-Pot Synthesis of a Triazolyl-Pyridazinone Library
  作者：Wenyuan Qian、David Winternheimer、Jennifer Allen

  DOI：10.1021/ol200183b

  日期：2011.4.1

  A "click and activate" strategy was designed and executed in a four-component, stepwise condensation that led to a trisubstituted triazolyl-pyridazinone library. This one-pot process included regioselective azide substitution at 2-substituted-4,5-dichloropyridazinones, followed by a Cu(l) catalyzed triazole formation which triggered subsequent nucleophilic substitution at the neighboring position to achieve three points of diversity.