6-(tert-butylazo)-6-cyanoheptanoic acid | 1269773-14-9

• 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: 6-(tert-butylazo)-6-cyanoheptanoic acid
• 英文别名: 6-(t-Butylazo)-6-cyanoheptanoic acid；6-(tert-butyldiazenyl)-6-cyanoheptanoic acid
• CAS: 1269773-14-9
• 化学式: C₁₂H₂₁N₃O₂
• 分子量: 239.318
• InChiKey: RIRODGHRNYMEIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(tert-butylazo)-6-cyanoheptanoic acid 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 1,1-dimethylpropyl 6-(tert-butylazo)-6-cyanoperoxyheptanoate
  参考文献：
  名称：

  Synthesis and thermal properties of asymmetrical azo-peresters

  摘要：

  New asymmetrical azo-perester derivatives of tert-butyl and tert-amyl hydroperoxides were obtained by reacting azo acids with hydroperoxides in the presence of N,N'-carbonyldiimidazole. The obtained azo-peresters possess two labile functional groups: the azo group and the perester group. Data from dynamic differential scanning calorimetry (DSC) experiments indicate that the azo groups decompose at somewhat lower temperatures than the perester groups.

  DOI：

  10.1007/s00706-011-0459-9
• 作为产物：
  描述：

  sodium cyanide 、 5-乙酰基戊酸 、 叔丁基肼盐酸盐 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 43.33h， 以62%的产率得到6-(tert-butylazo)-6-cyanoheptanoic acid
  参考文献：
  名称：

  Synthesis and thermal properties of asymmetrical azo-peresters

  摘要：

  New asymmetrical azo-perester derivatives of tert-butyl and tert-amyl hydroperoxides were obtained by reacting azo acids with hydroperoxides in the presence of N,N'-carbonyldiimidazole. The obtained azo-peresters possess two labile functional groups: the azo group and the perester group. Data from dynamic differential scanning calorimetry (DSC) experiments indicate that the azo groups decompose at somewhat lower temperatures than the perester groups.

  DOI：

  10.1007/s00706-011-0459-9