4-carbamoyl-2,2-dimethyl-5,5-dimethoxy-3-imidazolin-1-yloxy | 138001-13-5

• 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-carbamoyl-2,2-dimethyl-5,5-dimethoxy-3-imidazolin-1-yloxy
• 英文别名: 2,2-dimethyl-5,5-dimethoxy-4-amido-3-imidazoline-1-oxyl；4-amido-2,2-dimethyl-5,5-dimethoxy-3-imidazoline-1-oxyl
• CAS: 138001-13-5
• 化学式: C₈H₁₄N₃O₄
• 分子量: 216.217
• InChiKey: RVNGYJDGAQFMML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.74
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  97.05
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-carbamoyl-2,2-dimethyl-5,5-dimethoxy-3-imidazolin-1-yloxy 在 氯化铵 、 锌 作用下， 以 甲醇 为溶剂， 以90%的产率得到5-Methoxy-2,2-dimethyl-1-oxy-2H-imidazole-4-carboxylic acid amide
  参考文献：
  名称：

  Reduction of α,α-dialkoxy-substituted nitroxides: the synthesis of α-alkoxynitrones and acetals ofN-hydroxyamides

  摘要：

  Reduction of stable nitroxides derived from tetrahydrooxazole, tetrahydroimidazole, 2,5-dihydroimidazole, and 2,5-dihydroimidazole 3-oxide containing alkoxy groups in alpha-position to the nitroxyl group affords alpha-alkoxynitrones, acetals of N-hydroxyamides, or their equilibrium mixtures.

  DOI：

  10.1007/bf02494863
• 作为产物：
  描述：

  2,2-二甲基-4-甲氧羰基-2H-咪唑-1-氧 在 ammonium hydroxide 、 lead dioxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 4-carbamoyl-2,2-dimethyl-5,5-dimethoxy-3-imidazolin-1-yloxy
  参考文献：
  名称：

  Synthesis of 2H-imidazole 1-oxides and stable nitroxyl radicals based on them

  摘要：

  2H-Imidazole 1-oxides containing an aldonitrone group in the heterocyclic ring are obtained by the condensation of hydroximinomethyl ketones with ketones and ammonium acetate. Their oxidation with lead dioxide in methanol gives stable nitroxyl radicals - 5,5-dimethoxy-3-imidazoline-1-oxyls.

  DOI：

  10.1007/bf00960421

文献信息

• Burdukov, A. B.; Ovcharenko, V.I.; Pervukhina, N. V., Russian Journal of Inorganic Chemistry, 1993, vol. 38, p. 460 - 465
  作者：Burdukov, A. B.、Ovcharenko, V.I.、Pervukhina, N. V.、Ikorskii, V. N.

  DOI：——

  日期：——
• Burdukov; Ovcharenko; Pervukhina, Russian Journal of Inorganic Chemistry, 1999, vol. 44, # 7, p. 1064 - 1071
  作者：Burdukov、Ovcharenko、Pervukhina、Ikorskii、Grigor'ev、Kirilyuk、Ovcharenko、Musin

  DOI：——

  日期：——
• Two Cu(hfac)2 complexes with the imidazoline nitroxide 4-amido-2,2-dimethyl-5,5-dimethoxy-3-imidazoline-1-oxyl. Conversion of a discrete molecular structure to a chain structure as a result of stoichiometric changes
  作者：Alexei B. Burdukov、Victor I. Ovcharenko、Renad Z. Sagdeev、Alexei V. Podoplelov、Natalie V. Pervukhina、Vladimir N. Ikorskii、Igor A. Kiriluk、Igor A. Grigoriev

  DOI：10.1016/0277-5387(94)00273-h

  日期：1995.2

  The reaction of copper hexafluoroacetylacetonate with the stable nitroxide 4-amido-2,2-dimethyl-5,5-dimethoxy-3-imidazoline-1-oxyl (L) in a ratio of 2:1 in hexane yielded the Cu(hfac)(2)-saturated coordination chain polymer of composition [Cu(hfac)(2)](2)L. In [Cu(hfac)(2)](2)L, half of the Cu(hfac)(2) molecules coordinate L in bidentate-fashion by the amide-group oxygen and the imine nitrogen of the heterocycle. The other Cu(hfac)(2) molecules arrange the above Cu(hfac)(2)L} fragments in polymer chains by alternate coordination of either the N-O group, or the amide-group oxygens of two Cu(hfac)(2)L} fragments to axial positions. As a result [Cu(hfac)(2)](2)L involves three copper ions with coordination number 6 and with different coordination environments. For metal complexes with nitroxides, this mode of chain formation was observed for the first time. The magnetic properties of the complex are described in terms of an exchange cluster model with ferromagnetic intracluster exchange interactions.