4,4,5,5-tetramethyl-1-oxyl-4,5-dihydro-1H-imidazole-2-carboxylic acid potassium salt | 849721-75-1

• 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: 4,4,5,5-tetramethyl-1-oxyl-4,5-dihydro-1H-imidazole-2-carboxylic acid potassium salt
• 英文别名: c
• CAS: 849721-75-1
• 化学式: C₈H₁₂N₂O₃*K
• 分子量: 223.293
• InChiKey: JJPMRIBVIMKLGF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.64
• 重原子数：
  14.0
• 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：
  75.63
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4,4,5,5-tetramethyl-1-oxyl-4,5-dihydro-1H-imidazole-2-carboxylic acid potassium salt 、 水 、 copper(II) acetate monohydrate 以 乙醇 为溶剂， 以60%的产率得到copper(II)(4,4,5,5-tetramethyl-1-oxyl-4,5-dihydro-1H-imidazole-2-carboxylic acid(-H)(1-))2(H2O)2
  参考文献：
  名称：

  A new approach to synthesis of α-nitronyl nitroxide carboxylates. First metal complexes with α-imino nitroxide carboxylate

  摘要：

  An effective procedure has been developed for the synthesis of the potassium salt of 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-l-oxyl-3-oxide-2-carboxylic acid K(l). The salts of 4,4,5,5-tetramethyl-l-oxyl-4,5-diliydro-1H-imidazole-2-carboxylic acid X(2) are kinetically much more stable than K(1). Due to this, a series of heterospin complexes Cu(2)(2)(CH3OH)(2), Cu(2)(2)(H2O)(2), Cu(2)(2), Co(2)(2)(CH3OH)(2), Ni(2)(2)(H2O)(2), Ni(2)(2)(py)(2),. and Ni(2)(2)(dipy) (.) H2O were isolated. For K(2), Cu(2)(2)(CH3OH)(2), and Ni(2)(2)(py)(2), crystal and molecular structure has been determined. For Cu(2)(2) and Ni(2)(2)(bipy), cooperative magnetic ordering has been recorded at 16.6 and 4.6 K, respectively. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.03.035