4-(but-3-en-1-yloxy)-2,4,6-trimethylcyclohexa-2,5-dien-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(but-3-en-1-yloxy)-2,4,6-trimethylcyclohexa-2,5-dien-1-one
• 英文别名: 4-(but-3-en-1-yloxy)-2,4,6-trimethylcyclohexa-2,5-dienone
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: BPXVWTJFHDFEHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(but-3-en-1-yloxy)-2,4,6-trimethylcyclohexa-2,5-dien-1-one 以 苯 为溶剂， 反应 0.33h， 以85%的产率得到6,8,8a-trimethyl-2,3,4,4a,8,8a-hexahydro-7H-4,8-methanochromen-7-one
  参考文献：
  名称：

  Tandem Dienone Photorearrangement–Cycloaddition for the Rapid Generation of Molecular Complexity

  摘要：

  A tandem dienone photorearrangement-cycloaddition (DPC) reaction of novel cyclohexadienone substrates tethered with various 2 pi and 4 pi reaction partners resulted in the formation of polycyclic, bridged frameworks. In particular, use of alkynyl ether-tethered substrates led to (3 + 2) cycloaddition to afford strained alkenes which could be further elaborated by intra- and intermolecular cycloaddition chemistry to produce complex, polycyclic chemotypes.

  DOI：

  10.1021/ja409992m
• 作为产物：
  描述：

  3-丁烯-1-醇 、 2,4,6-三甲酚 在 碘苯二乙酸 作用下， 以 二氯甲烷 为溶剂， 以38%的产率得到4-(but-3-en-1-yloxy)-2,4,6-trimethylcyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Tandem Dienone Photorearrangement–Cycloaddition for the Rapid Generation of Molecular Complexity

  摘要：

  A tandem dienone photorearrangement-cycloaddition (DPC) reaction of novel cyclohexadienone substrates tethered with various 2 pi and 4 pi reaction partners resulted in the formation of polycyclic, bridged frameworks. In particular, use of alkynyl ether-tethered substrates led to (3 + 2) cycloaddition to afford strained alkenes which could be further elaborated by intra- and intermolecular cycloaddition chemistry to produce complex, polycyclic chemotypes.

  DOI：

  10.1021/ja409992m