(E)-Methyl 3-methyl-3-hexenoate

• 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: (E)-Methyl 3-methyl-3-hexenoate
• 英文别名: Methyl 3-methyl-3-hexenoate；methyl (E)-3-methylhex-3-enoate
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: XQNORLNSMPRAMB-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-3-methyl-hex-2-enoic acid methyl ester 以 正戊烷 为溶剂， 反应 24.0h， 生成 (Z)-Methyl 3-methyl-3-hexenoate 、 (E)-Methyl 3-methyl-3-hexenoate
  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

文献信息

• US7323589B2
  申请人：——

  公开号：US7323589B2

  公开（公告）日：2008-01-29
• Photolysis of a .beta.-Azo Perester, a Bifunctional Initiator. The Fragmentation Rate of a .beta.-Peroxy Ester Radical Determined by the Cyclopropylcarbinyl Clock Method
  作者：Paul S. Engel、Aiyin Wu

  DOI：10.1021/jo00093a031

  日期：1994.7

  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.