Diethyl 2-[2-methyl-3-oxo-5-(4-phenyltriazol-1-yl)pyridazin-4-yl]propanedioate | 1271271-60-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Diethyl 2-[2-methyl-3-oxo-5-(4-phenyltriazol-1-yl)pyridazin-4-yl]propanedioate
• 英文别名: diethyl 2-[2-methyl-3-oxo-5-(4-phenyltriazol-1-yl)pyridazin-4-yl]propanedioate
• CAS: 1271271-60-3
• 化学式: C₂₀H₂₁N₅O₅
• 分子量: 411.417
• InChiKey: HUMDEVJTMFTHBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4,5-二氯-2-甲基哒嗪-3-酮 、 苯乙炔 、 丙二酸二乙酯 在 sodium azide 、 copper(l) iodide 、 N,N-二异丙基乙胺 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以66%的产率得到Diethyl 2-[2-methyl-3-oxo-5-(4-phenyltriazol-1-yl)pyridazin-4-yl]propanedioate
  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.