2-methoxy-7-methyl-9,11,12,13-tetrahydro-6H-5-oxabenzo[6,7]cyclohepta[1,2-a]naphthalen-10-one | 1070776-87-2

• 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: 2-methoxy-7-methyl-9,11,12,13-tetrahydro-6H-5-oxabenzo[6,7]cyclohepta[1,2-a]naphthalen-10-one
• 英文别名: 17-Methoxy-10-methyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),9,14(19),15,17-hexaen-6-one；17-methoxy-10-methyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),9,14(19),15,17-hexaen-6-one
• CAS: 1070776-87-2
• 化学式: C₂₀H₂₀O₃
• 分子量: 308.377
• InChiKey: OGNYTPAOQCTQQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-7-methyl-9,11,12,13-tetrahydro-6H-5-oxabenzo[6,7]cyclohepta[1,2-a]naphthalen-10-one 、 甲基溴化镁 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.1h， 以96%的产率得到
  参考文献：
  名称：

  A Concise Approach to the Polycyclic Scaffold of Frondosin D

  摘要：

  In a study directed at developing a concise approach to the polycyclic core of frondosin D, a Stille-Heck sequence has been identified that gives direct access to the trimethylbicyclo [5.4.0]undecane ring system common to all frondosins.

  DOI：

  10.1021/jo800682n
• 作为产物：
  描述：

  2-(but-3-enyl)-3-(3-chloro-6-methoxy-2H-chromen-4-yl)cyclohex-2-enone 在 二(三叔丁基膦)钯 、 rhodium(III) chloride caesium carbonate 作用下， 以 N-甲基吡咯烷酮 、 乙醇 为溶剂， 反应 9.0h， 以57.0 mg的产率得到2-methoxy-7-methyl-9,11,12,13-tetrahydro-6H-5-oxabenzo[6,7]cyclohepta[1,2-a]naphthalen-10-one
  参考文献：
  名称：

  A Concise Approach to the Polycyclic Scaffold of Frondosin D

  摘要：

  In a study directed at developing a concise approach to the polycyclic core of frondosin D, a Stille-Heck sequence has been identified that gives direct access to the trimethylbicyclo [5.4.0]undecane ring system common to all frondosins.

  DOI：

  10.1021/jo800682n

文献信息

• A Concise Approach to the Polycyclic Scaffold of Frondosin D
  作者：Kye-Simeon Masters、Bernard L. Flynn

  DOI：10.1021/jo800682n

  日期：2008.10.17

  In a study directed at developing a concise approach to the polycyclic core of frondosin D, a Stille-Heck sequence has been identified that gives direct access to the trimethylbicyclo [5.4.0]undecane ring system common to all frondosins.