1-(naphthalen-1-yl)-2-(1H-pyrazol-1-yl)propan-1-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(naphthalen-1-yl)-2-(1H-pyrazol-1-yl)propan-1-ol
• 英文别名: 1-Naphthalen-1-yl-2-pyrazol-1-ylpropan-1-ol；1-naphthalen-1-yl-2-pyrazol-1-ylpropan-1-ol
• 化学式: C₁₆H₁₆N₂O
• 分子量: 252.316
• InChiKey: BPISNWLWSSTSAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 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-(1'-naphthyl)-2-propyn-1-ol 在 4-二甲氨基吡啶 、 palladium on activated charcoal 、 氢气 、 silver nitrate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 氯苯 为溶剂， 反应 25.0h， 生成 1-(naphthalen-1-yl)-2-(1H-pyrazol-1-yl)propan-1-ol
  参考文献：
  名称：

  Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)

  摘要：

  The reaction between readily accessible pyrazole and propargyl acetates in the presence of Ag(I) catalyst yielded a new class of (E)-allyl-gem-dipyrazole scorpionate ligands: 1-aryl-2-N-pyrazolyl allyl acetates and 1,3-dipyrazolyl-3-arylpropene. The reaction showed broad substrate scope, and various functional and protecting groups were tolerated under the reaction conditions. The palladium(II) scorpionate complex could thus be easily prepared and successfully employed in Suzuki-Miyaura cross-couplings in water.

  DOI：

  10.1021/jo401867e

文献信息

• Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (<i>E</i>)-Allyl-<i>gem</i>-dipyrazoles (ADPs)
  作者：M. Bhanuchandra、Malleswara Rao Kuram、Akhila K. Sahoo

  DOI：10.1021/jo401867e

  日期：2013.12.6

  The reaction between readily accessible pyrazole and propargyl acetates in the presence of Ag(I) catalyst yielded a new class of (E)-allyl-gem-dipyrazole scorpionate ligands: 1-aryl-2-N-pyrazolyl allyl acetates and 1,3-dipyrazolyl-3-arylpropene. The reaction showed broad substrate scope, and various functional and protecting groups were tolerated under the reaction conditions. The palladium(II) scorpionate complex could thus be easily prepared and successfully employed in Suzuki-Miyaura cross-couplings in water.