4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl-2-carboxylic acid amide | 683764-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl-2-carboxylic acid amide
• CAS: 683764-39-8
• 化学式: C₈H₁₄N₃O₂
• 分子量: 184.218
• InChiKey: XTVYEENBJHHVEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.09
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  78.59
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl-2-carboxylic acid amide 以 乙酸乙酯 、 苯 为溶剂， 生成 (4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl-2-carboxylic amide)Cu(hexafluoroacetylacetonate)2*C6H6
  参考文献：
  名称：

  Synthesis, structure and magnetism of M(hfac)2 complexes with spin labelled amides

  摘要：

  An effective method for the synthesis of 4,4,5,5-tetramethyl-3-oxide-1-oxyl-4,5-dihydro-2H-imidazole-2-carbonitrile (1) has been found. 4,4,5,5-Tetramethyl-3-oxide-1-oxyl-4,5-dihydro-1H-imidazole-2-carboxylic (8) and 4,4,5,5-tetramethyl-1-oxyl-4,5-dihydro-1H-imidazole-2-carboxylic (9) acid amides have been synthesized and structurally characterized using 1 as the starting compound. Reactions of Mn(hfaC)(2), Cu(hfaC)(2) and Co(hfac)(2) with 8 and 9 lead to heterospin compounds tending to form in solid bi- or tetranuclear complexes due to intermolecular H-bonding between the peripheral NH2 groups and the coordinated carbonyl oxygen atoms. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.11.054