(3R,3aS)-3-((R)-1-Methyl-allyl)-6-oxo-1,2,3,4,5,6-hexahydro-indene-3a-carboxylic acid ethyl ester | 141245-38-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3R,3aS)-3-((R)-1-Methyl-allyl)-6-oxo-1,2,3,4,5,6-hexahydro-indene-3a-carboxylic acid ethyl ester
• CAS: 141245-38-7
• 化学式: C₁₆H₂₂O₃
• 分子量: 262.349
• InChiKey: OGUNQUXOOMPMNU-DJSGYFEHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.06
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3R,3aS)-3-((R)-1-Methyl-allyl)-6-oxo-1,2,3,4,5,6-hexahydro-indene-3a-carboxylic acid ethyl ester 在 lithium aluminium tetrahydride 、 camphor-10-sulfonic acid 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 苯 为溶剂， 生成 [(3'R,3'aS)-3'-[(2R)-but-3-en-2-yl]spiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-yl]methyl methanesulfonate
  参考文献：
  名称：

  Asymmetric synthese of de-ABC-cholestan-14-one and de-AB-cholest-8-en-9-one by an extracyclic methodology

  摘要：

  Efficient asymmetric syntheses of the title compounds have been performed starting from a cyclopentanone derivative which was obtained both diastereo- and enantio-selectively by the addition reaction of (S)-2-(8-phenylmenthoxycarbonyl)-2-cyclopentenone with E-methyldiphenylcrotylsilane.

  DOI：

  10.1016/s0040-4039(00)91650-2
• 作为产物：
  描述：

  (1S,2R)-2-((R)-1-Methyl-allyl)-5-oxo-1-(3-oxo-butyl)-cyclopentanecarboxylic acid ethyl ester 在 四氢吡咯 作用下， 以 苯 为溶剂， 生成 (3R,3aS)-3-((R)-1-Methyl-allyl)-6-oxo-1,2,3,4,5,6-hexahydro-indene-3a-carboxylic acid ethyl ester
  参考文献：
  名称：

  Asymmetric synthese of de-ABC-cholestan-14-one and de-AB-cholest-8-en-9-one by an extracyclic methodology

  摘要：

  Efficient asymmetric syntheses of the title compounds have been performed starting from a cyclopentanone derivative which was obtained both diastereo- and enantio-selectively by the addition reaction of (S)-2-(8-phenylmenthoxycarbonyl)-2-cyclopentenone with E-methyldiphenylcrotylsilane.

  DOI：

  10.1016/s0040-4039(00)91650-2