Ethyl 8-[(4-methoxyphenyl)methyl]-11-methyl-7,10-dioxo-2,3,4,8,11,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,12-tetraene-5-carboxylate | 1353166-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Ethyl 8-[(4-methoxyphenyl)methyl]-11-methyl-7,10-dioxo-2,3,4,8,11,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,12-tetraene-5-carboxylate
• 英文别名: ethyl 8-[(4-methoxyphenyl)methyl]-11-methyl-7,10-dioxo-2,3,4,8,11,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,12-tetraene-5-carboxylate
• CAS: 1353166-61-6
• 化学式: C₁₉H₁₈N₆O₅
• 分子量: 410.389
• InChiKey: VXLQFMVQMHURMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-azido-4-chloro-2-methylpyridazin-3(2H)-one 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 Ethyl 8-[(4-methoxyphenyl)methyl]-11-methyl-7,10-dioxo-2,3,4,8,11,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,12-tetraene-5-carboxylate
  参考文献：
  名称：

  One-pot synthesis of [1,2,3]triazole-fused pyrazinopyridazindione tricycles by a ‘click and activate’ approach

  摘要：

  Substituted [1,2,3]triazole-fused pyrazinopyridazindione tricycles were synthesized in a four-component, stepwise condensation. The key step in this one-pot process was a thermal [3+2] triazole formation which activated the adjacent position and set the stage for a subsequent tandem nucleophilic aromatic substitution/cyclization sequence. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.11.030

文献信息

• One-pot synthesis of [1,2,3]triazole-fused pyrazinopyridazindione tricycles by a ‘click and activate’ approach
  作者：Wenyuan Qian、David Winternheimer、Albert Amegadzie、Jennifer Allen

  DOI：10.1016/j.tetlet.2011.11.030

  日期：2012.1

  Substituted [1,2,3]triazole-fused pyrazinopyridazindione tricycles were synthesized in a four-component, stepwise condensation. The key step in this one-pot process was a thermal [3+2] triazole formation which activated the adjacent position and set the stage for a subsequent tandem nucleophilic aromatic substitution/cyclization sequence. (C) 2011 Published by Elsevier Ltd.