dimethyl 2-{endo-7-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.3.1]non-exo-3-ylmethylidene}malonate | 1150266-46-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dimethyl 2-{endo-7-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.3.1]non-exo-3-ylmethylidene}malonate
• CAS: 1150266-46-8
• 化学式: C₂₀H₃₀O₆
• 分子量: 366.455
• InChiKey: BHKBRFZLQKBNGO-WYDZUXNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  dimethyl 2-{endo-7-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.3.1]non-exo-3-ylmethylidene}malonate 在 甲醇 、 5%-palladium/activated carbon 、 氢气 作用下， 反应 12.0h， 以99%的产率得到dimethyl 2-(endo-7-hydroxybicyclo[3.3.1]non-exo-3-ylmethyl)malonate
  参考文献：
  名称：

  Synthetic approaches to physiologically active polycyclic compounds: VII. Synthesis of 2-(7-Hydroxybicyclo-[3.3.1]non-3-ylmethyl)propane-1,3-diol

  摘要：

  2-(endo-7-Hydroxybicyclo[3.3.1]non-exo-3-ylmethyl)propane-1,3-diol was synthesized in seven steps starting from endo-7-Hydroxybicyclo[3.3.1]nonane-exo-3-carboxylic acid. The title compound attracts interest as intermediate product for the synthesis of potential tubulin ligands.

  DOI：

  10.1134/s1070428008080058
• 作为产物：
  描述：

  endo-7-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.3.1]nonane-exo-3-carbaldehyde 、 丙二酸二甲酯 在 ethylenediamine Tetraacetic Acid 作用下， 以 苯 为溶剂， 反应 8.0h， 以52%的产率得到dimethyl 2-{endo-7-(tetrahydro-2H-pyran-2-yloxy)bicyclo[3.3.1]non-exo-3-ylmethylidene}malonate
  参考文献：
  名称：

  Synthetic approaches to physiologically active polycyclic compounds: VII. Synthesis of 2-(7-Hydroxybicyclo-[3.3.1]non-3-ylmethyl)propane-1,3-diol

  摘要：

  2-(endo-7-Hydroxybicyclo[3.3.1]non-exo-3-ylmethyl)propane-1,3-diol was synthesized in seven steps starting from endo-7-Hydroxybicyclo[3.3.1]nonane-exo-3-carboxylic acid. The title compound attracts interest as intermediate product for the synthesis of potential tubulin ligands.

  DOI：

  10.1134/s1070428008080058