Methyl 2-(2-ethoxy-2-oxoethyl)-4-methyl-3,7-dioxo-1,3a,4,5,6,7a-hexahydroindene-2-carboxylate | 1026699-13-7

• 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-(2-ethoxy-2-oxoethyl)-4-methyl-3,7-dioxo-1,3a,4,5,6,7a-hexahydroindene-2-carboxylate
• CAS: 1026699-13-7
• 化学式: C₁₆H₂₂O₆
• 分子量: 310.347
• InChiKey: TXCWFLOVIQQVEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2-ethoxy-2-oxoethyl)-4-methyl-3,7-dioxo-1,3a,4,5,6,7a-hexahydroindene-2-carboxylate 在 盐酸 、 氧气 、 溶剂黄146 作用下， 反应 5.0h， 生成 7-methyl-1,4-dioxo-2,3,4,5,6,7-hexahydroinden-2-ylacetic acid
  参考文献：
  名称：

  A short and efficient annelation sequence for the synthesis of bicyclic intermediates in the total synthesis of strigol and its analogues

  摘要：

  A new annelation sequence was developed for the bicyclic diones 2, intermediates in the total synthesis of strigol (1) and its analogues. The first step of the sequence is the conjugate addition of nitro alcohols 4 to cyclopentenone 5, followed by an alkylative cyclization step and dehydrogenation.

  DOI：

  10.1007/bf00807028
• 作为产物：
  描述：

  rac-5-Nitro-2-pentanol 在 吡啶 、 titanium(III) chloride 、 potassium tert-butylate 、 ammonium acetate 、 sodium methylate 、 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 叔丁醇 、 苯 为溶剂， 反应 20.5h， 生成 Methyl 2-(2-ethoxy-2-oxoethyl)-4-methyl-3,7-dioxo-1,3a,4,5,6,7a-hexahydroindene-2-carboxylate
  参考文献：
  名称：

  A short and efficient annelation sequence for the synthesis of bicyclic intermediates in the total synthesis of strigol and its analogues

  摘要：

  A new annelation sequence was developed for the bicyclic diones 2, intermediates in the total synthesis of strigol (1) and its analogues. The first step of the sequence is the conjugate addition of nitro alcohols 4 to cyclopentenone 5, followed by an alkylative cyclization step and dehydrogenation.

  DOI：

  10.1007/bf00807028

文献信息

• A short and efficient annelation sequence for the synthesis of bicyclic intermediates in the total synthesis of strigol and its analogues
  作者：I. K�das、G. �rvai、L. T�ke

  DOI：10.1007/bf00807028

  日期：——

  A new annelation sequence was developed for the bicyclic diones 2, intermediates in the total synthesis of strigol (1) and its analogues. The first step of the sequence is the conjugate addition of nitro alcohols 4 to cyclopentenone 5, followed by an alkylative cyclization step and dehydrogenation.