N-acetylglycine-N-carboxyanhydride | 62935-84-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-acetylglycine-N-carboxyanhydride
• 英文别名: N-Acetylglycin-N-carbonsaeureanhydrid；3-acetyl-oxazolidine-2,5-dione；3-Acetyl-oxazolidin-2,5-dion；3-acetyl-DL-oxazolidine-2,5-dione；2,5-Oxazolidinedione, 3-acetyl-；3-acetyl-1,3-oxazolidine-2,5-dione
• CAS: 62935-84-6
• 化学式: C₅H₅NO₄
• 分子量: 143.099
• InChiKey: DEYHNCUHWOCXFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-acetylglycine-N-carboxyanhydride 、 苯胺 以 1,4-二氧六环 为溶剂， 以93%的产率得到N-acetylglycine anilide
  参考文献：
  名称：

  15N NMR spectroscopy 28—solvent effects on the15N13C coupling constants of amides, imides, ureas and polypeptides

  摘要：

  AbstractThe 15N13C coupling constants of 15N‐enriched acetamide, N‐acetylglycine anilide, phthalimide, α,α′‐bisphthalimido‐p‐xylene, N‐methyl‐N′‐phenylurea, poly‐L‐alanine and poly‐L‐valine were measured in various solvents. It was found that the 15N13C coupling constants depend largely on the nature of the solvent. Increasing acidity leads to higher one‐bond and lower two‐bond coupling constants. A change of concentration does not have any influence on the 15N13C couplings while a large increase in temperature leads to a slightly lower 1J(NC). It is concluded that solvent effects may limit the use of 15N13C coupling constants for the elucidation of solvent‐induced conformational changes.

  DOI：

  10.1002/mrc.1270140607

文献信息

• 15N NMR spectroscopy 28—solvent effects on the15N13C coupling constants of amides, imides, ureas and polypeptides
  作者：Hans R. Kricheldorf

  DOI：10.1002/mrc.1270140607

  日期：1980.12

  AbstractThe 15N13C coupling constants of 15N‐enriched acetamide, N‐acetylglycine anilide, phthalimide, α,α′‐bisphthalimido‐p‐xylene, N‐methyl‐N′‐phenylurea, poly‐L‐alanine and poly‐L‐valine were measured in various solvents. It was found that the 15N13C coupling constants depend largely on the nature of the solvent. Increasing acidity leads to higher one‐bond and lower two‐bond coupling constants. A change of concentration does not have any influence on the 15N13C couplings while a large increase in temperature leads to a slightly lower 1J(NC). It is concluded that solvent effects may limit the use of 15N13C coupling constants for the elucidation of solvent‐induced conformational changes.

表征谱图