4-Methyl-1-(m-(trifluoromethyl)cinnamoyl)piperazine | 93040-64-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-Methyl-1-(m-(trifluoromethyl)cinnamoyl)piperazine
• 英文别名: (E)-1-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
• CAS: 93040-64-3
• 化学式: C₁₅H₁₇F₃N₂O
• 分子量: 298.308
• InChiKey: XYYRRZQADSBLMU-AATRIKPKSA-N

物化性质

• 沸点：
  411.4±45.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 (2E)-3-[3-(三氟甲基)苯基]丙烯酰氯 以 四氢呋喃 为溶剂， 以90%的产率得到4-Methyl-1-(m-(trifluoromethyl)cinnamoyl)piperazine
  参考文献：
  名称：

  Sleep-inducing N-alkyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)cinnamamides

  摘要：

  A series of N-alkyl-3-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)-cinnamamides were prepared and screened in a series of tests designed to detect potential sleep inducers. The more active members of the series were evaluated for their ability to induce sleep in Cebus monkeys. The most active compound, N-methyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinone, was equal to methaqualone.

  DOI：

  10.1021/jm00379a007

文献信息

• HOULIHAN, W.;GOGERTY, J. H.;RYAN, E. A.;SCHMITT, G., J. MED. CHEM., 1985, 28, N 1, 28-31
  作者：HOULIHAN, W.、GOGERTY, J. H.、RYAN, E. A.、SCHMITT, G.

  DOI：——

  日期：——
• Sleep-inducing N-alkyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)cinnamamides
  作者：William J. Houlihan、John H. Gogerty、Eileen A. Ryan、Gemma Schmitt

  DOI：10.1021/jm00379a007

  日期：1985.1

  A series of N-alkyl-3-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinones and N-alkyl-3-(trifluoromethyl)-cinnamamides were prepared and screened in a series of tests designed to detect potential sleep inducers. The more active members of the series were evaluated for their ability to induce sleep in Cebus monkeys. The most active compound, N-methyl-5-[m-(trifluoromethyl)phenyl]-5-hydroxy-2-pyrrolidinone, was equal to methaqualone.