4,4,5,5-tetramethyl-2-(trifluoromethyl)imidazolidine-1,3-diol | 735279-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: 4,4,5,5-tetramethyl-2-(trifluoromethyl)imidazolidine-1,3-diol
• 英文别名: 1,3-dihydroxy-4,4,5,5-tetramethyl-2-(trifluoromethyl)imidazolidine
• CAS: 735279-11-5
• 化学式: C₈H₁₅F₃N₂O₂
• 分子量: 228.215
• InChiKey: VTCUDGYIXRLBRS-UHFFFAOYSA-N

物化性质

• 沸点：
  256.4±40.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  15.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4,4,5,5-tetramethyl-2-(trifluoromethyl)imidazolidine-1,3-diol 在 magnesium sulfate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 4.0h， 生成 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：

  2,2,2-三氟乙醛 、 N,N’-二羟基-2,3-二甲基-2,3-丁二胺 以 氯仿 、 水 为溶剂， 反应 5.0h， 以65%的产率得到4,4,5,5-tetramethyl-2-(trifluoromethyl)imidazolidine-1,3-diol
  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 reaction of 4,5-dihydro-1<i>H</i>-imidazole 3-oxides with alkynes
  作者：Sergey A. Popov、Nikita V. Chukanov、Galina V. Romanenko、Tatjana V. Rybalova、Yuri V. Gatilov、Vladimir A. Reznikov

  DOI：10.1002/jhet.5570430206

  日期：2006.3

  4,5-Dihydro-1H-imidazole 3-oxides bearing different substituents at positions 1 and 2 of the heterocycle were shown to react with a wide range of acceptor-substituted alkynes forming corrsponding cycloadducts - derivatives of 1,2,3,7a-tetrahydroimidazo[1,2-b]isoxazole. High regioselectivity of this process stipulated by conjugation of the nitrogen atom with the nitrone group was revealed.

  显示在杂环的1和2位带有不同取代基的4,5-二氢-1 H-咪唑3-氧化物可与各种受体取代的炔烃反应形成相应的环加合物-1,2,3,7a衍生物-四氢咪唑并[1,2- b ]异恶唑。揭示了该过程的高区域选择性，这是由氮原子与硝酮基团的缀合所规定的。