cyclohexyl 2,4-dimethylglutarate | 137768-94-6

• 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: cyclohexyl 2,4-dimethylglutarate
• 英文别名: Dicyclohexyl 2,4-dimethylpentanedioate；dicyclohexyl 2,4-dimethylpentanedioate
• CAS: 137768-94-6
• 化学式: C₁₉H₃₂O₄
• 分子量: 324.461
• InChiKey: JNSUSASWYUZWBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  2,4 -二甲基戊二酸 、 环己醇 在 硼酸 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以75%的产率得到cyclohexyl 2,4-dimethylglutarate
  参考文献：
  名称：

  Relaxation studies on model compounds of cyclohexyl-based polyacrylates

  摘要：

  The equilibrium and dynamic dielectric properties of cyclohexyl isobutyrate (CI) and cyclohexyl 2,4-dimethylglutarate (CG), model compounds of the repeating unit and the dimer of poly(cyclohexyl acrylate) (PCA), respectively, are determined. The results show that the dipole moment at 30-degrees-C of cyclohexyl 2,4-dimethylglutarate (2.84 D) is significantly higher than the value of this quantity (2.09 D) for its aromatic counterpart, phenyl 2,4-dimethylglutarate (PG), as a consequence of the strong preference for the high polarity t-pi,t-pi conformation in the racemic diad of the former compound. The dielectric relaxation spectrum of CI presents a relatively strong secondary relaxation, in comparison with that of the compounds with higher conformational versatility CG. Other esters such as PG and m-chlorophenyl 2,4-dimethylglutarate (MCPG) also exhibit weak secondary relaxations in their dielectric spectra. Attempts are made to explain at the molecular level the weak subglass absorptions of the esters based on 2,4-dimethylglutaric acid. The alpha relaxations in the model compounds are interpreted in terms of the coupling model.

  DOI：

  10.1021/j100181a073

文献信息

• Relaxation studies on model compounds of cyclohexyl-based polyacrylates
  作者：Ricardo Diaz-Calleja、Evaristo Riande、Julio San Roman

  DOI：10.1021/j100181a073

  日期：1992.1

  The equilibrium and dynamic dielectric properties of cyclohexyl isobutyrate (CI) and cyclohexyl 2,4-dimethylglutarate (CG), model compounds of the repeating unit and the dimer of poly(cyclohexyl acrylate) (PCA), respectively, are determined. The results show that the dipole moment at 30-degrees-C of cyclohexyl 2,4-dimethylglutarate (2.84 D) is significantly higher than the value of this quantity (2.09 D) for its aromatic counterpart, phenyl 2,4-dimethylglutarate (PG), as a consequence of the strong preference for the high polarity t-pi,t-pi conformation in the racemic diad of the former compound. The dielectric relaxation spectrum of CI presents a relatively strong secondary relaxation, in comparison with that of the compounds with higher conformational versatility CG. Other esters such as PG and m-chlorophenyl 2,4-dimethylglutarate (MCPG) also exhibit weak secondary relaxations in their dielectric spectra. Attempts are made to explain at the molecular level the weak subglass absorptions of the esters based on 2,4-dimethylglutaric acid. The alpha relaxations in the model compounds are interpreted in terms of the coupling model.