ethyl 2-acetoxydecanoate | 42512-96-9

• 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 2-acetoxydecanoate
• 英文别名: α-Acetoxy-caprinsaeureethylester；Ethyl 2-acetyloxydecanoate；ethyl 2-acetyloxydecanoate
• CAS: 42512-96-9
• 化学式: C₁₄H₂₆O₄
• 分子量: 258.358
• InChiKey: YESTVCWLGVGEHK-UHFFFAOYSA-N

物化性质

• 沸点：
  323.8±15.0 °C(Predicted)
• 密度：
  0.967±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-acetoxydecanoate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 羟基癸酸
  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：

  癸酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 ethyl 2-acetoxydecanoate
  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

• Synthesis of lactate derivatives via reductive radical addition to α-oxyacrylates
  作者：Justin B. Diccianni、Mason Chin、Tianning Diao

  DOI：10.1016/j.tet.2019.05.002

  日期：2019.8

  Lactate derivatives are important synthetic precursors to a variety of pharmaceutical products. Previously reported methods to prepare lactates require multiple steps or have limited scopes. Herein, we report a Ni-catalyzed reductive addition of a variety of alkyl iodides to α-oxyacrylates to afford substituted lactates. Exploring the scope of radical acceptors reveals that electron-deficient alkenes

  乳酸衍生物是多种药物的重要合成前体。先前报道的制备乳酸盐的方法需要多个步骤或范围有限。在本文中，我们报道了将多种烷基碘的镍催化还原加成至α-氧丙烯酸酯以提供取代的乳酸酯。探索自由基受体的范围发现，从环己烯酮到对丁氧基苯乙烯的缺电子烯烃与烷基碘有效偶联。该方法代表了替代策略访问乳酸盐衍生物。
• 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：——
• Role of the hydrophobic moiety of tumor promoters. Synthesis and activity of 2-alkylated benzolactams
  作者：Yasuyuki Endo、Akihiro Yokoyama

  DOI：10.1016/s0960-894x(99)00580-6

  日期：2000.1

  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.