4-amino-1,3-dimethyl-5-(3-methyl-3-hydroxybutyn-1-yl)pyrazole | 143539-18-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-amino-1,3-dimethyl-5-(3-methyl-3-hydroxybutyn-1-yl)pyrazole
• 英文别名: 4-(4-Amino-1,3-dimethyl-1H-pyrazol-5-yl)-2-methylbut-3-yn-2-ol；4-(4-amino-2,5-dimethylpyrazol-3-yl)-2-methylbut-3-yn-2-ol
• CAS: 143539-18-8
• 化学式: C₁₀H₁₅N₃O
• 分子量: 193.249
• InChiKey: XOMAVFUMJUYUEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-amino-1,3-dimethyl-5-(3-methyl-3-hydroxybutyn-1-yl)pyrazole 在 氢氧化钾 作用下， 以 various solvent(s) 为溶剂， 以84.5%的产率得到4-amino-1,3-dimethyl-5-ethynylpyrazole
  参考文献：
  名称：

  Equilibrium CH acidity of acetylenic derivatives of N-alkylazoles in DMSO

  摘要：

  The equilibrium CH acidity of a group of ethynylazoles in DMSO was measured by an intermetallization method. The dependence of the acidity of these compounds on the structure of the heterocycle, position of the ethynyl group, and nature of the substituents has been examined.

  DOI：

  10.1007/bf00863051
• 作为产物：
  描述：

  4-amino-5-iodo-1,3-dimethylpyrazole 、 2-甲基-3-丁炔-2-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二乙胺 作用下， 反应 12.0h， 生成 4-amino-1,3-dimethyl-5-(3-methyl-3-hydroxybutyn-1-yl)pyrazole
  参考文献：
  名称：

  Equilibrium CH acidity of acetylenic derivatives of N-alkylazoles in DMSO

  摘要：

  The equilibrium CH acidity of a group of ethynylazoles in DMSO was measured by an intermetallization method. The dependence of the acidity of these compounds on the structure of the heterocycle, position of the ethynyl group, and nature of the substituents has been examined.

  DOI：

  10.1007/bf00863051

文献信息

• Equilibrium CH acidity of acetylenic derivatives of N-alkylazoles in DMSO
  作者：A. I. Belov、M. I. Terekhova、�. S. Petrov、S. F. Vasilevskii、M. S. Shvartsberg

  DOI：10.1007/bf00863051

  日期：1992.3

  The equilibrium CH acidity of a group of ethynylazoles in DMSO was measured by an intermetallization method. The dependence of the acidity of these compounds on the structure of the heterocycle, position of the ethynyl group, and nature of the substituents has been examined.