4,4,5,5-tetramethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-1-ol | 735278-74-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 4,4,5,5-tetramethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-1-ol
• 英文别名: 1-Hydroxy-4,4,5,5-tetramethyl-2-(trifluoromethyl)imidazole
• CAS: 735278-74-7
• 化学式: C₈H₁₃F₃N₂O
• 分子量: 210.199
• InChiKey: FNGMWRPMQNQRJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫酸二甲酯 、 4,4,5,5-tetramethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-1-ol 以 四氢呋喃 为溶剂， 反应 1.0h， 以67%的产率得到1-methoxy-4,4,5,5-tetramethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  Aminonitrone-N-hydroxyaminoimine tautomeric equilibrium in the series of 1-hydroxy-2-imidazolines

  摘要：

  A series of 2-substituted 1-hydroxy-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazoles have been synthesized. Various effects on the state of the aminonitrone-N-hydroxyaminoimine tautomeric equilibrium, including solvent effects and substituent effect in the 2 position of heterocycle, have been studied. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.02.028
• 作为产物：
  描述：

  N,N’-二羟基-2,3-二甲基-2,3-丁二胺 在 magnesium sulfate 作用下， 以 氯仿 、 水 、 甲苯 为溶剂， 反应 8.0h， 生成 4,4,5,5-tetramethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazol-1-ol
  参考文献：
  名称：

  Aminonitrone-N-hydroxyaminoimine tautomeric equilibrium in the series of 1-hydroxy-2-imidazolines

  摘要：

  A series of 2-substituted 1-hydroxy-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazoles have been synthesized. Various effects on the state of the aminonitrone-N-hydroxyaminoimine tautomeric equilibrium, including solvent effects and substituent effect in the 2 position of heterocycle, have been studied. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.02.028

文献信息

• 1,3-Dipolar cycloaddition or nucleophilic addition: Influence of solvents and nature of substituents in the reagent and substrate molecules on the reaction of 4,5-dihydro-1<i>H</i>-imidazole 3-oxides with alkynes
  作者：Sergey A. Popov、Vladimir A. Reznikov

  DOI：10.1002/jhet.5570430207

  日期：2006.3

  Two competitive processes - 1,3-dipolar cycloaddition and nucleophilic addition - in the reaction of 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxides with asymmetrically substituted alkynes were shown to occur. The influence of solvents and the nature of substituents in the reagent and substrate molecules on the rate ratio of these competitive processes were studied.

  在4,4,5,5-四甲基-4,5-二氢-1 H-咪唑3-氧化物与不对称取代的炔烃的反应中，发生了两个竞争过程-1,3-偶极环加成和亲核加成。研究了溶剂以及试剂和底物分子中取代基的性质对这些竞争过程的速率比的影响。