| 959469-41-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 959469-41-1
• 化学式: C₂₃H₄₄O₃Si₂
• 分子量: 424.772
• InChiKey: FPZHWBYKFPJLOD-LYCVCJOSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.42
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 叔丁基过氧化氢 、 bis(acetylacetonate)oxovanadium 作用下， 以 癸烷 、 苯 为溶剂， 反应 10.0h， 以65%的产率得到
  参考文献：
  名称：

  A Domino-Based Approach toward Stereodefined Heavily Functionalized Cyclohexanes:  Synthesis of Iridal's Core Structure

  摘要：

  A stereoselective synthesis of heavily functionalized six-membered ring subunits, which possess functionality at sites appropriate for further elaboration, is described. The cyclopentanone moiety of hydrindenediol is required to achieve total facial selectivity during the pre-domino installation of the second quaternary center, while oxidative cleavage is responsible for the ring-expanding rearrangement. A microwave-assisted version of the key domino transformation and a test of concept approach toward the iridal core structure are also presented.

  DOI：

  10.1021/ol702056s
• 作为产物：
  描述：

  [(3aR)-6-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-3-methylidene-2,4,5,6-tetrahydro-1H-inden-5-yl]oxy-tert-butyl-dimethylsilane 在 叔丁基过氧化氢 、 selenium(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以63%的产率得到
  参考文献：
  名称：

  A Domino-Based Approach toward Stereodefined Heavily Functionalized Cyclohexanes:  Synthesis of Iridal's Core Structure

  摘要：

  A stereoselective synthesis of heavily functionalized six-membered ring subunits, which possess functionality at sites appropriate for further elaboration, is described. The cyclopentanone moiety of hydrindenediol is required to achieve total facial selectivity during the pre-domino installation of the second quaternary center, while oxidative cleavage is responsible for the ring-expanding rearrangement. A microwave-assisted version of the key domino transformation and a test of concept approach toward the iridal core structure are also presented.

  DOI：

  10.1021/ol702056s