cyclopropyl(1-phenyl-1H-pyrazol-3-yl)methanol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclopropyl(1-phenyl-1H-pyrazol-3-yl)methanol
• 英文别名: Cyclopropyl-(1-phenylpyrazol-3-yl)methanol；cyclopropyl-(1-phenylpyrazol-3-yl)methanol
• 化学式: C₁₃H₁₄N₂O
• 分子量: 214.267
• InChiKey: IVOGTACQXZMNHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-环丙基丙炔醇 、 3-苯雪梨酮 以 甲苯 为溶剂， 反应 12.0h， 以33%的产率得到cyclopropyl(1-phenyl-1H-pyrazol-3-yl)methanol
  参考文献：
  名称：

  [1,3]-Dipolar cycloaddition of N-aryl sydnones to benzothiophene 1,1-dioxide, 1-cyclopropylprop-2-yn-1-ol and 1-(prop-2-ynyl)-1H-indole

  摘要：

  [1,3]-Dipolar cycloadditions of N-aryl sydnones to benzothiophene 1,1-dioxide, 1-cyclopropylprop-2-yn-1-ol and 1-(prop-2-ynyl)indole gave fused pyrazole derivatives when carried out in refluxing toluene. While the first two dipolarophiles gave single regioisomers, this indolic derivative gave mixtures, the ratios of which appeared to be controlled by the phenyl substituents. Their structures were identified in the usual manner, supported by single crystal X-ray diffraction measurements. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.083

文献信息

• [1,3]-Dipolar cycloaddition of N-aryl sydnones to benzothiophene 1,1-dioxide, 1-cyclopropylprop-2-yn-1-ol and 1-(prop-2-ynyl)-1H-indole
  作者：Yaşar Dürüst、Akın Sağırlı、Benson M. Kariuki、David W. Knight

  DOI：10.1016/j.tet.2014.04.083

  日期：2014.9

  [1,3]-Dipolar cycloadditions of N-aryl sydnones to benzothiophene 1,1-dioxide, 1-cyclopropylprop-2-yn-1-ol and 1-(prop-2-ynyl)indole gave fused pyrazole derivatives when carried out in refluxing toluene. While the first two dipolarophiles gave single regioisomers, this indolic derivative gave mixtures, the ratios of which appeared to be controlled by the phenyl substituents. Their structures were identified in the usual manner, supported by single crystal X-ray diffraction measurements. (C) 2014 Elsevier Ltd. All rights reserved.