2-pyridylmethyl 2-[(1S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]acetate

• 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: 2-pyridylmethyl 2-[(1S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]acetate
• 英文别名: pyridin-2-ylmethyl 2-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetate
• 化学式: C₁₇H₂₃NO₂
• 分子量: 273.375
• InChiKey: OOWANEPWMXDRHO-MHEXWIEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  beta-pinene 、 2-吡啶基甲基甲酸酯 在 十二羰基三钌 四丁基碘化铵 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以78%的产率得到2-pyridylmethyl 2-[(1S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]acetate
  参考文献：
  名称：

  Halide Ions as a Highly Efficient Promoter in the Ru-Catalyzed Hydroesterification of Alkenes and Alkynes

  摘要：

  The presence of catalytic amounts of halide salts was found to enhance dramatically the reaction efficiency in the Ru-catalyzed hydroesterification of alkenes and alkynes using a chelating 2-pyridylmethyl formate by lowering the reaction temperature. On the basis of IR and NMR studies, the halide effect on the reaction is mainly attributed to the facile dissociation of the trirutheniumcarbonyl precursor into the presumed active metal species. With this milder condition, the substrate scope has been significantly broadened.

  DOI：

  10.1021/ol061753e

文献信息

• Halide Ions as a Highly Efficient Promoter in the Ru-Catalyzed Hydroesterification of Alkenes and Alkynes
  作者：Eun Ju Park、Ji Min Lee、Hoon Han、Sukbok Chang

  DOI：10.1021/ol061753e

  日期：2006.9

  The presence of catalytic amounts of halide salts was found to enhance dramatically the reaction efficiency in the Ru-catalyzed hydroesterification of alkenes and alkynes using a chelating 2-pyridylmethyl formate by lowering the reaction temperature. On the basis of IR and NMR studies, the halide effect on the reaction is mainly attributed to the facile dissociation of the trirutheniumcarbonyl precursor into the presumed active metal species. With this milder condition, the substrate scope has been significantly broadened.