3-methylbicyclo[3.3.1]nonane-2,6-dione | 1130110-50-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methylbicyclo[3.3.1]nonane-2,6-dione
• CAS: 1130110-50-7
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: ZRJRHTNMNNVOHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methylbicyclo[3.3.1]nonane-2,6-dione 、 甲基锂 以 四氢呋喃 为溶剂， 反应 25.0h， 以15.2%的产率得到3-methyl-2,6-dimethylbicyclo[3.3.1]nonane-exo-2,exo-6-diol
  参考文献：
  名称：

  Synthesis of 3-Methyl-2,6-dimethylbicyclo[3.3.1]nonane-exo-2,exo-6-diol

  摘要：

  In this article, a new 2,6-dimethylbicyclo[3.3.1]nonane-exo-2, exo-6-diol derivative was designed and synthesized. First, the precursor compound (8) was prepared. Key intermediate dione compounds were obtained by reaction with iodomethane followed by hydrolysis and decarboxylation. Finally, methylation of the mixture of compounds 10a and 10b resulted in the formation of the title compound (5).

  DOI：

  10.1080/00397910902883561
• 作为产物：
  描述：

  在 盐酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 40.0h， 以90%的产率得到3-methylbicyclo[3.3.1]nonane-2,6-dione
  参考文献：
  名称：

  Synthesis of 3-Methyl-2,6-dimethylbicyclo[3.3.1]nonane-exo-2,exo-6-diol

  摘要：

  In this article, a new 2,6-dimethylbicyclo[3.3.1]nonane-exo-2, exo-6-diol derivative was designed and synthesized. First, the precursor compound (8) was prepared. Key intermediate dione compounds were obtained by reaction with iodomethane followed by hydrolysis and decarboxylation. Finally, methylation of the mixture of compounds 10a and 10b resulted in the formation of the title compound (5).

  DOI：

  10.1080/00397910902883561