3-ethyl-5-methoxy-5-oxopentanoic acid | 38004-66-9

• 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: 3-ethyl-5-methoxy-5-oxopentanoic acid
• 英文别名: 3-ethyl-glutaric acid monomethyl ester；3-Aethyl-glutarsaeure-monomethylester；1-Methyl 3-ethylpentanedioate
• CAS: 38004-66-9
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: QEODCEBFTIXFKK-UHFFFAOYSA-N

物化性质

• 沸点：
  286.8±23.0 °C(Predicted)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-ethyl-5-methoxy-5-oxopentanoic acid 生成 3-ethyl-glutaric acid-chloride methyl ester
  参考文献：
  名称：

  Branched-Chain Fatty Acids. XXVII. Further Study of the Dependence of Rate of Amide Hydrolysis on Substitution near the Amide Group. Relative Rates of Hydrolysis of Nitrile to Amide and Amide to Acid

  摘要：

  DOI：

  10.1021/jo50015a010
• 作为产物：
  描述：

  甲醇 、 3-乙基戊二酸酐 生成 3-ethyl-5-methoxy-5-oxopentanoic acid
  参考文献：
  名称：

  Branched-Chain Fatty Acids. XXVII. Further Study of the Dependence of Rate of Amide Hydrolysis on Substitution near the Amide Group. Relative Rates of Hydrolysis of Nitrile to Amide and Amide to Acid

  摘要：

  DOI：

  10.1021/jo50015a010

文献信息

• Novel amide-functionalized chloramphenicol base bifunctional organocatalysts for enantioselective alcoholysis of<i>meso</i>-cyclic anhydrides
  作者：Lingjun Xu、Shuwen Han、Linjie Yan、Haifeng Wang、Haihui Peng、Fener Chen

  DOI：10.3762/bjoc.14.19

  日期：——

  possessing a NH functionality at C-1 position as monodentate hydrogen bond donor were developed and evaluated for enantioselective organocatalytic alcoholysis of meso-cyclic anhydrides. These structural diversified organocatalysts were found to induce high enantioselectivity in alcoholysis of anhydrides and was successfully applied to the asymmetric synthesis of (S)-GABOB.

  研发了一系列新型的氯霉素基础酰胺有机催化剂，它们在C-1位置具有NH官能团作为单齿氢键供体，并评估了其对中环酸酐的对映选择性有机催化醇解作用。发现这些结构多样的有机催化剂在酸酐的醇解中诱导高对映选择性，并成功地用于（S）-GABOB的不对称合成。
• Romanuk,M. et al., Collection of Czechoslovak Chemical Communications, 1972, vol. 37, p. 1755 - 1761
  作者：Romanuk,M. et al.

  DOI：——

  日期：——