methyl 2-(3-methoxy-3a,5,6,7-tetrahydro-4H-inden-1-yl)-2-methylpropanoate | 1170680-17-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 2-(3-methoxy-3a,5,6,7-tetrahydro-4H-inden-1-yl)-2-methylpropanoate
• CAS: 1170680-17-7
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: KCRRLXVCOIFBJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 2-(3-methoxy-3a,5,6,7-tetrahydro-4H-inden-1-yl)-2-methylpropanoate 在 盐酸 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以79%的产率得到
  参考文献：
  名称：

  Consecutive enolate addition/cyclization of Fischer enynyl carbene complexes: facile access to cyclopentenoids

  摘要：

  Functionalized cyclopentenoids were synthesized from Fischer enynyl carbene complexes by a sequence that involves regioselective nucleophilic 1,4-addition of enolates and anionic electrocyclization of the resulting intermediate. Moreover, the method is effective for the C2-C3 annulation of heterocyclic rings like benzofuran and indole. The methoxycyclopentadiene thus obtained can be hydrolyzed to substituted cyclopentenones, which are not straightforwardly accessible by other methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.058
• 作为产物：
  描述：

  、 异丁酸甲酯 在 lithium diisopropyl amide 、 水 、 氯化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以66%的产率得到methyl 2-(3-methoxy-3a,5,6,7-tetrahydro-4H-inden-1-yl)-2-methylpropanoate
  参考文献：
  名称：

  Consecutive enolate addition/cyclization of Fischer enynyl carbene complexes: facile access to cyclopentenoids

  摘要：

  Functionalized cyclopentenoids were synthesized from Fischer enynyl carbene complexes by a sequence that involves regioselective nucleophilic 1,4-addition of enolates and anionic electrocyclization of the resulting intermediate. Moreover, the method is effective for the C2-C3 annulation of heterocyclic rings like benzofuran and indole. The methoxycyclopentadiene thus obtained can be hydrolyzed to substituted cyclopentenones, which are not straightforwardly accessible by other methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.058