2-[(4-chlorophenyl)methyl]-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridazin-3-one | 1271271-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(4-chlorophenyl)methyl]-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridazin-3-one
• CAS: 1271271-48-7
• 化学式: C₂₈H₂₂ClF₃N₆O₂
• 分子量: 566.97
• InChiKey: GJHOVQAKJOTPLI-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4,5-二氯-2-(4-氯苄基)-2,3-二氢哒嗪-3-酮 、 4-乙炔基-α,α,α-三氟甲苯 、 D-苯甘氨醇 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73%的产率得到2-[(4-chlorophenyl)methyl]-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridazin-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.