N-(4,4,4-trifluoro-3-chloro-2-butenyl)-N-tert-butylamine

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: N-(4,4,4-trifluoro-3-chloro-2-butenyl)-N-tert-butylamine
• 英文别名: 4-(tert-Butylamino)-2-chloro-1,1,1-trifluoro-but-2-ene；(Z)-N-tert-butyl-3-chloro-4,4,4-trifluorobut-2-en-1-amine
• 化学式: C₈H₁₃ClF₃N
• 分子量: 215.646
• InChiKey: AWOMKEMOMPLPIC-XQRVVYSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  叔丁胺 、 2,4-Dichloro-1,1,1-trifluoro-2-butene 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 65.0h， 以39%的产率得到N-(4,4,4-trifluoro-3-chloro-2-butenyl)-N-tert-butylamine
  参考文献：
  名称：

  1,3-Dichloro-4,4,4-trifluorobut-2-ene as a 4-carbon building block containing a trifluoromethyl group

  摘要：

  The preparation, isomerization, and utility of CF3CCl=CHCH2Cl as a 4-carbon reagent for the incorporation of a trifluoromethyl group is described. The regiochemistry observed for charged intermediates derived from CF3CCl=CHCH2Cl was consistent with MNDO calculated partial charges at C-1 and C-3. The anion-stabilizing and cation-destabilizing effects of the trifluoromethyl group were dominant.

  DOI：

  10.1016/s0022-1139(96)03513-0

文献信息

• 1,3-Dichloro-4,4,4-trifluorobut-2-ene as a 4-carbon building block containing a trifluoromethyl group
  作者：Michael Van Der Puy

  DOI：10.1016/s0022-1139(96)03513-0

  日期：1997.3

  The preparation, isomerization, and utility of CF3CCl=CHCH2Cl as a 4-carbon reagent for the incorporation of a trifluoromethyl group is described. The regiochemistry observed for charged intermediates derived from CF3CCl=CHCH2Cl was consistent with MNDO calculated partial charges at C-1 and C-3. The anion-stabilizing and cation-destabilizing effects of the trifluoromethyl group were dominant.