α-Acetoxy-caprylsaeure-ethylester | 42512-94-7

• 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: α-Acetoxy-caprylsaeure-ethylester
• 英文别名: ethyl 2-acetyloxyoctanoate
• CAS: 42512-94-7
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: DPANOSWWMOZMDL-UHFFFAOYSA-N

物化性质

• 沸点：
  289.9±13.0 °C(Predicted)
• 密度：
  0.984±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  16.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  α-Acetoxy-caprylsaeure-ethylester 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 2-羟基辛酸
  参考文献：
  名称：

  Role of the hydrophobic moiety of tumor promoters. Synthesis and activity of 2-alkylated benzolactams

  摘要：

  The size and position of a hydrophobic moiety on a benzolactam skeleton, which reproduces the active conformation and biological activity of teleocidins, play an important role in the appearance of the activity. Compounds with alkyl groups of various sizes and shapes at the 2-position of benzolactam were synthesized. Structure-activity results indicate that a hydrophobic substituent at the C-2 position plays a critical role in the appearance of biological activities, as in the case of substitution at C-9. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00580-6
• 作为产物：
  描述：

  辛酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 α-Acetoxy-caprylsaeure-ethylester
  参考文献：
  名称：

  Role of the hydrophobic moiety of tumor promoters. Synthesis and activity of 2-alkylated benzolactams

  摘要：

  The size and position of a hydrophobic moiety on a benzolactam skeleton, which reproduces the active conformation and biological activity of teleocidins, play an important role in the appearance of the activity. Compounds with alkyl groups of various sizes and shapes at the 2-position of benzolactam were synthesized. Structure-activity results indicate that a hydrophobic substituent at the C-2 position plays a critical role in the appearance of biological activities, as in the case of substitution at C-9. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00580-6

文献信息

• Lapkin,I.I.; Kashinskii,V.N., Journal of Organic Chemistry USSR (English Translation), 1973, vol. 9, p. 309 - 311
  作者：Lapkin,I.I.、Kashinskii,V.N.

  DOI：——

  日期：——