Ethyl I+/--(1-methylpropyl)benzenepropanoate | 209798-62-9

• 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: Ethyl I+/--(1-methylpropyl)benzenepropanoate
• 英文别名: ethyl 2-benzyl-3-methylpentanoate
• CAS: 209798-62-9
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: KXRPAISMUOIRCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  肉桂酸乙酯 、 2-溴丁烷 在 1,4-二乙酰苯 、 tetrabutylammonium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-acetylphenyl)-3-methyl-2-pentanol 、 Ethyl I+/--(1-methylpropyl)benzenepropanoate
  参考文献：
  名称：

  Kinetic Studies of the Homogeneous Coupling Reaction between Electrochemically Generated Aromatic Radical Anions and Alkyl Radicals.

  摘要：

  Radicals produced via the indirect reduction of alkyl halides by aromatic radical anions are likely to couple fast with the mediator. In the presence of activated olefins or good hydrogen atom donors the fate of the alkyl radicals might be changed. In this study rate constants for the coupling reaction (2) between primary, secondary and tertiary alkyl radicals and some aromatic radical anions were measured via the competition with addition of the radical to styrene or ethyl cinnamate, or via the competition with hydrogen atom transfer from thiophenol or 2-methyl-2-propanethiol to the alkyl radical. It is shown that for all the alkyl radicals and aromatic radical anions investigated so far the rate constant for coupling is close to 1 x 10(9) M-1 s(-1).

  DOI：

  10.3891/acta.chem.scand.52-0657