ethyl (1SR,7SR,16SR,17SR)-4-methyl-3,5-dioxo-7-phenyl-10-oxa-2,4,6-triazapentacyclo[5.5.5.0(1,16).0(2,6).0(8,12)]heptadec-8(12)-ene-17-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: ethyl (1SR,7SR,16SR,17SR)-4-methyl-3,5-dioxo-7-phenyl-10-oxa-2,4,6-triazapentacyclo[5.5.5.0(1,16).0(2,6).0(8,12)]heptadec-8(12)-ene-17-carboxylate
• 英文别名: ethyl (1R,7R,16R,17R)-4-methyl-3,5-dioxo-7-phenyl-10-oxa-2,4,6-triazapentacyclo[5.5.5.01,16.02,6.08,12]heptadec-8(12)-ene-17-carboxylate
• 化学式: C₂₃H₂₅N₃O₅
• 分子量: 423.469
• InChiKey: FWFQONVNNMCIEP-FUKRKQLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 4-甲基-1,2,4-三吖啉-3,5-二酮 以 二氯甲烷 为溶剂， 反应 0.75h， 以11.7 mg的产率得到ethyl (1SR,7SR,16SR,17SR)-4-methyl-3,5-dioxo-7-phenyl-10-oxa-2,4,6-triazapentacyclo[5.5.5.0(1,16).0(2,6).0(8,12)]heptadec-8(12)-ene-17-carboxylate
  参考文献：
  名称：

  Synthesis of Unique Scaffolds via Diels−Alder Cycloadditions of Tetrasubstituted Cyclohexadienes

  摘要：

  Diels-Alder cycloadditions of highly substituted cyclohexadienes derived from rhodium-mediated [2 + 2 + 2] cyclizations are reported. Reactive heterodienophiles, including singlet oxygen (O-1(2)), 4-substituted-1,2,4-triazoline-3,5-diones (TADs), and aryl- and acylnitroso compounds were employed, yielding novel heterocyclic products.

  DOI：

  10.1021/ol100318f

文献信息

• Synthesis of Unique Scaffolds via Diels−Alder Cycloadditions of Tetrasubstituted Cyclohexadienes
  作者：Amanda L. Jones、John K. Snyder

  DOI：10.1021/ol100318f

  日期：2010.4.2

  Diels-Alder cycloadditions of highly substituted cyclohexadienes derived from rhodium-mediated [2 + 2 + 2] cyclizations are reported. Reactive heterodienophiles, including singlet oxygen (O-1(2)), 4-substituted-1,2,4-triazoline-3,5-diones (TADs), and aryl- and acylnitroso compounds were employed, yielding novel heterocyclic products.