2-甲基-2-苯基-4-(三氟甲基)-1,5-二氢咪唑 | 192800-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲基-2-苯基-4-(三氟甲基)-1,5-二氢咪唑
• 英文名称: 2-Methyl-2-phenyl-4-trifluoromethyl-2,5-dihydro-1H-imidazole
• 英文别名: 2-Methyl-2-phenyl-4-(trifluoromethyl)-2,5-dihydro-1H-imidazole；2-methyl-2-phenyl-4-(trifluoromethyl)-1,5-dihydroimidazole
• CAS: 192800-75-2
• 化学式: C₁₁H₁₁F₃N₂
• 分子量: 228.217
• InChiKey: LVOSXLKABKRQAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  prop-2-enyl 2-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazole-3-carboxylate 在 吗啉 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到2-甲基-2-苯基-4-(三氟甲基)-1,5-二氢咪唑
  参考文献：
  名称：

  Trifluoromethyl-substituted Δ3-imidazolines: Synthesis and reactivity

  摘要：

  We describe the preparation of various 4-trifluoromethyl-substituted Delta(3)-imidazolines, which are precursors to amino acid-derived trifluoromethyl ketones. The imidazolines are prepared from alpha-silylimines and trifluoroacetonitrile by a 3+2 cycloaddition, and they can be hydrolyzed in weak acid to trifluoromethyl ketones. Additionally, we have identified several ring-opened compounds which result from treatment of the imidazolines with acid or base. Attempts to alkylate the imidazolines led to ring-opened products, so that the alkylation sequence ultimately produced N-alkylated amino acid-derived trifluoromethyl ketones. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00934-9

文献信息

• Trifluoromethyl-substituted Δ3-imidazolines: Synthesis and reactivity
  作者：Christopher W. Derstine、David N. Smith、John A. Katzenellenbogen

  DOI：10.1016/s0040-4039(97)00934-9

  日期：1997.6

  We describe the preparation of various 4-trifluoromethyl-substituted Delta(3)-imidazolines, which are precursors to amino acid-derived trifluoromethyl ketones. The imidazolines are prepared from alpha-silylimines and trifluoroacetonitrile by a 3+2 cycloaddition, and they can be hydrolyzed in weak acid to trifluoromethyl ketones. Additionally, we have identified several ring-opened compounds which result from treatment of the imidazolines with acid or base. Attempts to alkylate the imidazolines led to ring-opened products, so that the alkylation sequence ultimately produced N-alkylated amino acid-derived trifluoromethyl ketones. (C) 1997 Elsevier Science Ltd.