(4,5-dihydro-5-hydroxy-3-phenyl-5-(thiophen-2-yl)pyrazol-1-yl)(4-methylpiperidin-1-yl)methanethione | 1093116-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4,5-dihydro-5-hydroxy-3-phenyl-5-(thiophen-2-yl)pyrazol-1-yl)(4-methylpiperidin-1-yl)methanethione
• 英文别名: (5-hydroxy-3-phenyl-5-thiophen-2-yl-4H-pyrazol-1-yl)-(4-methylpiperidin-1-yl)methanethione
• CAS: 1093116-98-3
• 化学式: C₂₀H₂₃N₃OS₂
• 分子量: 385.554
• InChiKey: LQBOUCFVEGWESG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(4-methylpiperidine)-3-aminothiourea 、 2,3-dibromo-3-phenyl-1-thiophen-2-yl-propan-1-one 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以39%的产率得到(4,5-dihydro-5-hydroxy-3-phenyl-5-(thiophen-2-yl)pyrazol-1-yl)(4-methylpiperidin-1-yl)methanethione
  参考文献：
  名称：

  Synthesis and Characterization of a New Series of Hydroxy Pyrazolines

  摘要：

  3-Phenyl-1-(thiophen-2-yl)prop-2-en-1-one obtained by Claisen-Schmidt condensation of 2-acetyl thiophene with benzaldehyde was converted into 2,3-dibromo-3-phenyl-1-(thiophen-2-yl)propan-1-one, which on treatment with various thiosemicarbazides in the presence of triethylamine in absolute ethanol, yielded the corresponding hydroxy pyrazolines 3a-h. All the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectra.

  DOI：

  10.1080/00397910802241407

文献信息

• Synthesis and Characterization of a New Series of Hydroxy Pyrazolines
  作者：Humaira Parveen、Prince Firdoos Iqbal、Amir Azam

  DOI：10.1080/00397910802241407

  日期：2008.10.28

  3-Phenyl-1-(thiophen-2-yl)prop-2-en-1-one obtained by Claisen-Schmidt condensation of 2-acetyl thiophene with benzaldehyde was converted into 2,3-dibromo-3-phenyl-1-(thiophen-2-yl)propan-1-one, which on treatment with various thiosemicarbazides in the presence of triethylamine in absolute ethanol, yielded the corresponding hydroxy pyrazolines 3a-h. All the compounds were characterized by IR, (1)H NMR, and (13)C NMR spectra.