N,N'-二己基戊二酰胺 | 67616-96-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: N,N'-二己基戊二酰胺
• 英文名称: N,N'-dihexylglutaramide
• 英文别名: Pentanediamide, N,N'-dihexyl-；N,N'-dihexylpentanediamide
• CAS: 67616-96-0
• 化学式: C₁₇H₃₄N₂O₂
• 分子量: 298.469
• InChiKey: PNHOLMPSSWJOKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  戊二酸 、 正己胺 在 甲醇 、 氯化亚砜 作用下， 以 甲醇 为溶剂， 反应 99.0h， 以46%的产率得到N,N'-二己基戊二酰胺
  参考文献：
  名称：

  Crystal Structure Models for the Aldaramide Units of Poly(pentaramides)

  摘要：

  The X-ray crystal structures of seven structurally related diamides, N,N-dihexyl- and N,N-dimethylglutaramide, N,N-dimethylxylaramide, N,N-dimethyl-l-arabinaramide, N,N-dimethylribaramide monohydrate, 2,3,4-tri-O-acetyl-N,N-dimethylxylaramide, and 2,3,4-tri-O-acetyl-N,N-dimethyl-l-arabinaramide, were determined. These diamides were chosen as solid-state conformational models for the diamido repeating units of the corresponding polyamides. Solid-state conformations of the two N,N-dialkyglutaramides, with no pendant groups, were compared to those of their stereochemically different trihydroxy derivatives N,N-dimethylxylaramide, l-arabinaramide and ribaramide, and the two aforementioned tri-O-acetylpentaramides.

  DOI：

  10.1080/07328303.2012.748910

文献信息

• Crystal Structure Models for the Aldaramide Units of Poly(pentaramides)
  作者：Michael R. Hinton、Brian K. Nicholson、Merilyn Manley-Harris、Kenneth I. Hardcastle、Donald E. Kiely

  DOI：10.1080/07328303.2012.748910

  日期：2013.1.1

  The X-ray crystal structures of seven structurally related diamides, N,N-dihexyl- and N,N-dimethylglutaramide, N,N-dimethylxylaramide, N,N-dimethyl-l-arabinaramide, N,N-dimethylribaramide monohydrate, 2,3,4-tri-O-acetyl-N,N-dimethylxylaramide, and 2,3,4-tri-O-acetyl-N,N-dimethyl-l-arabinaramide, were determined. These diamides were chosen as solid-state conformational models for the diamido repeating units of the corresponding polyamides. Solid-state conformations of the two N,N-dialkyglutaramides, with no pendant groups, were compared to those of their stereochemically different trihydroxy derivatives N,N-dimethylxylaramide, l-arabinaramide and ribaramide, and the two aforementioned tri-O-acetylpentaramides.