tert-Butyl 3-cyclopropyl-2-perbutenoate | 156423-37-9

• 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: tert-Butyl 3-cyclopropyl-2-perbutenoate
• 英文别名: tert-butyl (E)-3-cyclopropylbut-2-eneperoxoate
• CAS: 156423-37-9
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: UURYEGLSLNTTPO-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 tert-Butyl 3-cyclopropyl-2-perbutenoate 在 sodium methylate 作用下， 以91%的产率得到(E)-Methyl 3-cyclopropyl-2-butenoate
  参考文献：
  名称：

  Photolysis of a .beta.-Azo Perester, a Bifunctional Initiator. The Fragmentation Rate of a .beta.-Peroxy Ester Radical Determined by the Cyclopropylcarbinyl Clock Method

  摘要：

  Two free radical initiators containing an azo group and a perester moiety on adjacent carbons have been prepared. On long wavelength W irradiation, these compounds lose nitrogen to afford beta-perester radicals. The cyclopropylcarbinyl radical clock technique has been used to determine that the lifetime of these radicals at 25 degrees C toward beta-scission and decarboxylation is 480 ns. The potential utility of beta-azo peresters as bifunctional free radical initiators is briefly discussed.

  DOI：

  10.1021/jo00093a031
• 作为产物：
  描述：

  叔丁基过氧化氢 、 (Z)-3-环丙基-2-丁烯酸 在 N,N'-羰基二咪唑 作用下， 生成 tert-Butyl 3-cyclopropyl-2-perbutenoate
  参考文献：
  名称：

  Photolysis of a .beta.-Azo Perester, a Bifunctional Initiator. The Fragmentation Rate of a .beta.-Peroxy Ester Radical Determined by the Cyclopropylcarbinyl Clock Method

  摘要：

  Two free radical initiators containing an azo group and a perester moiety on adjacent carbons have been prepared. On long wavelength W irradiation, these compounds lose nitrogen to afford beta-perester radicals. The cyclopropylcarbinyl radical clock technique has been used to determine that the lifetime of these radicals at 25 degrees C toward beta-scission and decarboxylation is 480 ns. The potential utility of beta-azo peresters as bifunctional free radical initiators is briefly discussed.

  DOI：

  10.1021/jo00093a031