(3aR,6aR)-2',2'-dimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-5,5'-1,3-dioxane]-2-one | 144675-70-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,6aR)-2',2'-dimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-5,5'-1,3-dioxane]-2-one
• CAS: 144675-70-7
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: XLRSPZNQGTUOHN-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  在 甲醇 作用下， 生成 (3aR,6aR)-2',2'-dimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-5,5'-1,3-dioxane]-2-one
  参考文献：
  名称：

  The tandem insertion of trimethylsilylcyanide and alkenes, alkynes, isocyanates or ketones into zirconacyclo-pentanes and -pentenes

  摘要：

  The tandem insertion of trimethylsilyl cyanide and alkenes, alkynes, ketones, or isocyanates into zirconacyclo-pentanes or -pentenes gives cyclopentylamines with an alkyl alkenyl, 1-hydroxyalkyl, or carboxamide substituent alpha to the amine group.

  DOI：

  10.1016/0040-4039(95)00652-s

文献信息

• Formation of zirconocene η2-imine complexes by rearrangement of cyclic iminoacyl complexes.
  作者：Jeremy M. Davis、Richard J. Whitby、Albert Jaxa-Chamiec

  DOI：10.1016/s0040-4039(00)61172-3

  日期：1992.9

  Insertion of phenylisocyanide into bicyclic zirconacyclopentanes, obtained from a 1,7-octa- or 1,6-hepta-diene by reaction with dibutylzirconocene, affords initially an iminoacyl complex that rearranges on warming to form a zirconocene eta2-imine complex which inserts unactivated alkenes and alkynes.
• Synthesis of cyclopentylamines using zirconium chemistry
  作者：Jeremy M. Davis、Richard J. Whitby、Albert Jaxa-Chamiec

  DOI：10.1016/s0040-4039(00)76242-3

  日期：1994.2

  Insertion of alkyl or trialkylsilyl isocyanides into zirconacyclopentanes gives iminoacyl complexes which rearrange to zirconocene eta(2)-imine complexes on heating. These may insert alkynes to give 1-vinyl-1-cyclopentylamines on work up, or decomplex the zirconium to afford after hydrolysis, cyclopentanones. With benzyl isocyanide 1,2-migration of the eta(2)-imine complexes occurs before quenching.