2-Ethyl-3-methylglutarsaeure-dimethylester | 55453-11-7

• 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: 2-Ethyl-3-methylglutarsaeure-dimethylester
• 英文别名: Dimethyl 2-ethyl-3-methyl-pentanedioate；Dimethyl-2-ethyl-3-methyl-pentandioat；Dimethyl 2-ethyl-3-methylpentanedioate
• CAS: 55453-11-7
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: JEKFBKLCUXRDIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  dimethyl 4-methylpent-2-ene-3,5-dicarboxylate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 16.0h， 生成 2-Ethyl-3-methylglutarsaeure-dimethylester
  参考文献：
  名称：

  Catalytic Dimerization of Crotonates

  摘要：

  A room-temperature dimerization of crotonates into 2-ethylidene-3-methylpentanedioates provides a sustainable route to difunctional monomers for step-growth polymerizations. We report two such dimerizations: (1) an organocatalytic dimerization using the N-heterocyclic carbene 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene ((IPr2Me2)-Pr-i) and (2) a rapid dimerization (under 15 s to full conversion) using potassium t-butoxide in THF. In addition to unsaturated diesters, the resulting dimers can be easily converted to other step-growth monomers; namely, their corresponding diacids and saturated diesters.

  DOI：

  10.1021/acscatal.5b00930