3-Heptyl-8-hydroxy-7-methyl-isochromen-6-one | 859507-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-Heptyl-8-hydroxy-7-methyl-isochromen-6-one
• 英文别名: 3-Heptyl-8-hydroxy-7-methylisochromen-6-one；3-heptyl-8-hydroxy-7-methylisochromen-6-one
• CAS: 859507-77-0
• 化学式: C₁₇H₂₂O₃
• 分子量: 274.36
• InChiKey: YCLXRORPIDQTMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Heptyl-8-hydroxy-7-methyl-isochromen-6-one 在 水 作用下， 生成 2,4-Dihydroxy-3-methyl-6-(2-oxo-nonyl)-benzaldehyde
  参考文献：
  名称：

  Synthesis of the Azaphilones Using Copper-Mediated Enantioselective Oxidative Dearomatization

  摘要：

  An approach to the asymmetric synthesis of the azaphilone natural products is reported involving copper-mediated enantioselective oxidative dearomatization of o-alkynylbenzaldehydes. The approach was successfully applied to the synthesis of (-)-S-15183a and several unnatural azaphilones.

  DOI：

  10.1021/ja052049g
• 作为产物：
  描述：

  2,4-Dihydroxy-3-methyl-6-non-1-ynylbenzaldehyde 在 gold(lll) acetate 作用下， 以 氘代氯仿 为溶剂， 以100%的产率得到3-Heptyl-8-hydroxy-7-methyl-isochromen-6-one
  参考文献：
  名称：

  Synthesis of the Azaphilones Using Copper-Mediated Enantioselective Oxidative Dearomatization

  摘要：

  An approach to the asymmetric synthesis of the azaphilone natural products is reported involving copper-mediated enantioselective oxidative dearomatization of o-alkynylbenzaldehydes. The approach was successfully applied to the synthesis of (-)-S-15183a and several unnatural azaphilones.

  DOI：

  10.1021/ja052049g

文献信息

• Synthesis of the Azaphilones Using Copper-Mediated Enantioselective Oxidative Dearomatization
  作者：Jianglong Zhu、Nicholas P. Grigoriadis、Jonathan P. Lee、John A. Porco

  DOI：10.1021/ja052049g

  日期：2005.7.1

  An approach to the asymmetric synthesis of the azaphilone natural products is reported involving copper-mediated enantioselective oxidative dearomatization of o-alkynylbenzaldehydes. The approach was successfully applied to the synthesis of (-)-S-15183a and several unnatural azaphilones.