(1S,4R)-7,7-dimethyl-1-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one | 1018733-01-1

• 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: (1S,4R)-7,7-dimethyl-1-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
• CAS: 1018733-01-1
• 化学式: C₁₅H₂₄N₂O₂
• 分子量: 264.368
• InChiKey: IDXVEJFFDWTMDA-ABAIWWIYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  40.62
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 ketopinic acid chloride 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (1S,4R)-7,7-dimethyl-1-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
  参考文献：
  名称：

  N/N/O versus N/O/O and N/O amino isoborneols in the enantioselective ethylation of benzaldehyde

  摘要：

  Enantiopure 10-(4-methylpiperazin-1-yl)isoborneol, a N/N/O-tridentate chiral diamino isoborneol, has been obtained from enantiopure ketopinic acid and its catalytic activity (as chiral ligand in the enantioselective addition of diethylzinc to benzaldehyde) measured and compared with the previously reported data for related N/N/O, N/O/O, and N/O isoborneols. It is demonstrated that the pentacoordinated-zinc Oppolzer's model for transition states is useful for explaining the catalytic behavior of N/N/O-tridentate ligands. In such cases, stable syn- or anti-type transition states can be proposed depending on the catalyst's conformational flexibility. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.01.012