4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-[(dimethylamino)methyl]triazol-1-yl]-2-phenylpyridazin-3-one | 1271271-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-[(dimethylamino)methyl]triazol-1-yl]-2-phenylpyridazin-3-one
• CAS: 1271271-33-0
• 化学式: C₂₄H₂₅N₇O
• 分子量: 427.509
• InChiKey: OGAZUBFMVLLSIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-二甲基胺-2-丙炔 、 四氢异喹啉 、 1-苯基-4,5-二氯-6-哒酮 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， 反应 2.0h， 以70%的产率得到4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-[(dimethylamino)methyl]triazol-1-yl]-2-phenylpyridazin-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.