Morpholin-4- | 140161-23-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Morpholin-4-
• 英文别名: N'-(4,5-diphenyl-1H-imidazol-2-yl)morpholine-4-carboximidamide
• CAS: 140161-23-5
• 化学式: C₂₀H₂₁N₅O
• 分子量: 347.42
• InChiKey: WPCHBQBWRREABP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  安息香精油 、 吗啉胍 以 乙醇 为溶剂， 反应 4.0h， 以27%的产率得到Morpholin-4-
  参考文献：
  名称：

  �ber Reaktionen von Alkylbiguaniden mit Benzoin beimpH der Biguanidbasen

  摘要：

  Alkylbiguanides 2 a-e react with benzoin (1) at the pH of the base in different ways. 1 undergoes in presence of 2 a, c oxidation to benzoic acid which reacts with the bases 2 a, c to yield 4-phenyl-1,3,5-triazinamines 3 c, 4 c; in presence of 2 b 1 is transformed to benzil, which reacts with 2 b under rearrangement to yield 1-(4-oxo-5,5-diphenyl-2-imidazolin-2-yl)-3,3-dimethylguanidine (5 b). However, the cycloalkylbiguanides 2 d, e react in presence of nitrogen as well as oxygen with 1 to yield piperidine-1-[N-(4,5-diphenylimidazol-2-yl)-carboxamidine] (7 d), resp. morpholine-4-[N-(4,5-diphenylimidazol-2-yl)-carboxamidine] (7 e). The structure of 7 e was established by means of an X-ray structure analysis. All proton- and carbon resonances were assigned on the basis of 2-dimensional NMR data.

  DOI：

  10.1007/bf00811115

文献信息

• �ber Reaktionen von Alkylbiguaniden mit Benzoin beimpH der Biguanidbasen
  作者：H. W. Schramm、M. Schubert-Zsilavecz、A. I. Saracoglu、Ch. Kratky

  DOI：10.1007/bf00811115

  日期：1991.12

  Alkylbiguanides 2 a-e react with benzoin (1) at the pH of the base in different ways. 1 undergoes in presence of 2 a, c oxidation to benzoic acid which reacts with the bases 2 a, c to yield 4-phenyl-1,3,5-triazinamines 3 c, 4 c; in presence of 2 b 1 is transformed to benzil, which reacts with 2 b under rearrangement to yield 1-(4-oxo-5,5-diphenyl-2-imidazolin-2-yl)-3,3-dimethylguanidine (5 b). However, the cycloalkylbiguanides 2 d, e react in presence of nitrogen as well as oxygen with 1 to yield piperidine-1-[N-(4,5-diphenylimidazol-2-yl)-carboxamidine] (7 d), resp. morpholine-4-[N-(4,5-diphenylimidazol-2-yl)-carboxamidine] (7 e). The structure of 7 e was established by means of an X-ray structure analysis. All proton- and carbon resonances were assigned on the basis of 2-dimensional NMR data.