2-(p-dimethylaminophenyl)-α,α,α-trifluorotoluene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(p-dimethylaminophenyl)-α,α,α-trifluorotoluene
• 英文别名: Dimethyl-(2'-(trifluoromethyl)biphenyl-4-yl)-amine；N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]aniline
• 化学式: C₁₅H₁₄F₃N
• 分子量: 265.278
• InChiKey: WJTVQYKUVFPCNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(p-dimethylaminophenyl)-α,α,α-trifluorotoluene 在 lithium aluminium tetrahydride 、 niobium pentachloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以74%的产率得到2-(二甲基氨基)芴
  参考文献：
  名称：

  Low-Valent Niobium-Mediated Double Activation of C−F/C−H Bonds:  Fluorene Synthesis from o-Arylated α,α,α-Trifluorotoluene Derivatives

  摘要：

  By the treatment of 0.3 molar amount of NbCl5 and LiAlH4, o-arylated alpha,alpha,alpha-trifluorotoluenes afforded fluorene derivatives in good yields. C-F bonds of the CF3 group and the neighboring ortho C-H bond were doubly activated to give the coupling products.

  DOI：

  10.1021/ja0565323
• 作为产物：
  描述：

  邻溴三氟甲苯 、 4-溴-N,N-二甲基苯胺 生成 2-(p-dimethylaminophenyl)-α,α,α-trifluorotoluene
  参考文献：
  名称：

  Low-Valent Niobium-Mediated Double Activation of C−F/C−H Bonds:  Fluorene Synthesis from o-Arylated α,α,α-Trifluorotoluene Derivatives

  摘要：

  By the treatment of 0.3 molar amount of NbCl5 and LiAlH4, o-arylated alpha,alpha,alpha-trifluorotoluenes afforded fluorene derivatives in good yields. C-F bonds of the CF3 group and the neighboring ortho C-H bond were doubly activated to give the coupling products.

  DOI：

  10.1021/ja0565323

文献信息

• Low-Valent Niobium-Mediated Double Activation of C−F/C−H Bonds:  Fluorene Synthesis from <i>o</i>-Arylated α,α,α-Trifluorotoluene Derivatives
  作者：Kohei Fuchibe、Takahiko Akiyama

  DOI：10.1021/ja0565323

  日期：2006.2.1

  By the treatment of 0.3 molar amount of NbCl5 and LiAlH4, o-arylated alpha,alpha,alpha-trifluorotoluenes afforded fluorene derivatives in good yields. C-F bonds of the CF3 group and the neighboring ortho C-H bond were doubly activated to give the coupling products.