ethyl 5-(3-(trifluoromethyl)benzyl)-1-phenyl-1H-pyrazole-3-carboxylate | 1544585-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 5-(3-(trifluoromethyl)benzyl)-1-phenyl-1H-pyrazole-3-carboxylate
• 英文别名: Ethyl 1-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylate；ethyl 1-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylate
• CAS: 1544585-49-0
• 化学式: C₂₀H₁₇F₃N₂O₂
• 分子量: 374.362
• InChiKey: FESOQRRLOFVYAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-diethoxyphosphoryl-3-[3-(trifluoromethyl)phenyl]propan-2-one 、 ethyl (phenylhydrazono)chloroacetate 在 lithium hydroxide 作用下， 以 乙二醇二甲醚 为溶剂， 以83%的产率得到ethyl 5-(3-(trifluoromethyl)benzyl)-1-phenyl-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  A new efficient synthesis of pyrazoles from hydrazonoyl halides and β-oxophosphonates

  摘要：

  A new practical and efficient synthesis of 1,3,5-trisubstituted pyrazoles has been developed by reacting of hydrazonoyl halides with beta-oxophosphonates under mild conditions in good yields with excellent regioselectivity. This process employs an addition-elimination sequence. Wide scope, functional group compatibility has been established. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.12.045

文献信息

• A new efficient synthesis of pyrazoles from hydrazonoyl halides and β-oxophosphonates
  作者：Aixue Sun、Jia-Hai Ye、Haitao Yu、Wenchao Zhang、Xiaolong Wang

  DOI：10.1016/j.tetlet.2013.12.045

  日期：2014.1

  A new practical and efficient synthesis of 1,3,5-trisubstituted pyrazoles has been developed by reacting of hydrazonoyl halides with beta-oxophosphonates under mild conditions in good yields with excellent regioselectivity. This process employs an addition-elimination sequence. Wide scope, functional group compatibility has been established. (C) 2013 Elsevier Ltd. All rights reserved.