3'-aceto-3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5'-isoxazoline-2} | 1295578-05-0

• 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: 3'-aceto-3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5'-isoxazoline-2}
• 英文别名: 1-(2',2'-dimethylspiro[4H-1,2-oxazole-5,3'-bicyclo[2.2.1]heptane]-3-yl)ethanone
• CAS: 1295578-05-0
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: DYJCHNIUBINPNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  38.66
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3'-aceto-3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5'-isoxazoline-2} 、 苯甲醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以74%的产率得到3'-cinnamoyl-3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5'-isoxazoline-2}
  参考文献：
  名称：

  Synthesis and biological screening of 4-(3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5′-isoxazoline-2}- 3′-yl)-2-aryl-2,3-dihydro-1H-1,5-benzodiazepines

  摘要：

  AbstractA series of novel 4‐(3,3‐dimethylspiro{bicyclo[2.2.1]heptan‐2,5′‐isoxazoline‐2}‐3′‐yl)‐2‐phenyl‐2,3‐dihydro‐1H‐1,5‐benzodiazepines were synthesized. These molecules were screened in vitro for their antifungal and antibacterial activity, and none of the tested compounds showed promising antimicrobial or antifungal activity. J. Heterocyclic Chem., 2011.

  DOI：

  10.1002/jhet.194
• 作为产物：
  描述：

  莰烯 、 丙酮 在 Iron(III) nitrate nonahydrate 作用下， 反应 6.0h， 以69%的产率得到3'-aceto-3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5'-isoxazoline-2}
  参考文献：
  名称：

  Synthesis and biological screening of 4-(3,3-dimethylspiro{bicyclo[2.2.1]heptan-2,5′-isoxazoline-2}- 3′-yl)-2-aryl-2,3-dihydro-1H-1,5-benzodiazepines

  摘要：

  AbstractA series of novel 4‐(3,3‐dimethylspiro{bicyclo[2.2.1]heptan‐2,5′‐isoxazoline‐2}‐3′‐yl)‐2‐phenyl‐2,3‐dihydro‐1H‐1,5‐benzodiazepines were synthesized. These molecules were screened in vitro for their antifungal and antibacterial activity, and none of the tested compounds showed promising antimicrobial or antifungal activity. J. Heterocyclic Chem., 2011.

  DOI：

  10.1002/jhet.194