ethyl 6-methyl-8-{[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino}-2-chromanecarboxylate | 859843-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 6-methyl-8-{[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino}-2-chromanecarboxylate
• 英文别名: ethyl 6-methyl-8-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-chromene-2-carboxylate
• CAS: 859843-66-6
• 化学式: C₂₂H₂₁N₃O₆
• 分子量: 423.425
• InChiKey: IGOQRBZOLHGVTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 6-methyl-8-{[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino}-2-chromanecarboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Convenient Synthesis and Reactivity of Ethyl 8‐amino‐6‐methyl‐2,3‐dihydro‐4H‐1‐benzopyran‐2‐carboxylate

  摘要：

  We report and comprehensively describe the synthesis and reactivity of ethyl 8-amino-6-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate. This peptidomimetic building block provides a constrained template that allows for the introduction of various functionalities in a specific spatial orientation.

  DOI：

  10.1081/scc-200057984
• 作为产物：
  描述：

  ethyl 8-amino-6-methyl-2,3-dihydro-4H-1-benzopyran-2-carboxylate 在 羟胺 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 ethyl 6-methyl-8-{[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino}-2-chromanecarboxylate
  参考文献：
  名称：

  Convenient Synthesis and Reactivity of Ethyl 8‐amino‐6‐methyl‐2,3‐dihydro‐4H‐1‐benzopyran‐2‐carboxylate

  摘要：

  We report and comprehensively describe the synthesis and reactivity of ethyl 8-amino-6-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate. This peptidomimetic building block provides a constrained template that allows for the introduction of various functionalities in a specific spatial orientation.

  DOI：

  10.1081/scc-200057984

文献信息

• Convenient Synthesis and Reactivity of Ethyl 8‐amino‐6‐methyl‐2,3‐dihydro‐4<i>H</i>‐1‐benzopyran‐2‐carboxylate
  作者：Marko Anderluh、Gašper Marc、Marija Sollner Dolenc

  DOI：10.1081/scc-200057984

  日期：2005.6

  We report and comprehensively describe the synthesis and reactivity of ethyl 8-amino-6-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate. This peptidomimetic building block provides a constrained template that allows for the introduction of various functionalities in a specific spatial orientation.