5-(1-adamantyl)-1,3-dimethyl-1H-pyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(1-adamantyl)-1,3-dimethyl-1H-pyrazole
• 英文别名: 5-(1-Adamantyl)-1,3-dimethylpyrazole；5-(1-adamantyl)-1,3-dimethylpyrazole
• 化学式: C₁₅H₂₂N₂
• 分子量: 230.353
• InChiKey: PJKWBTMOIXPUST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-金刚烷甲酮 以 乙醇 为溶剂， 反应 10.0h， 生成 5-(1-adamantyl)-1,3-dimethyl-1H-pyrazole
  参考文献：
  名称：

  Synthesis of difluoroboron adamantyl-containing complexes and pyrazoles based thereon

  摘要：

  One-stage synthesis has been developed for the preparation of adamantyl-containing difluoroboron complexes of 1,3-dicarbonyl compounds from 1-(1-adamantyl)ethanone, boron trifluoride etherate, and carboxylic acids anhydrides. The reaction of the complexes with hydrazine hydrate and its derivatives afforded the corresponding adamantyl-containing pyrazoles.

  DOI：

  10.1134/s1070428014110165

文献信息

• US7378409B2
  申请人：——

  公开号：US7378409B2

  公开（公告）日：2008-05-27
• Synthesis of difluoroboron adamantyl-containing complexes and pyrazoles based thereon
  作者：S. A. Kon’kov、K. S. Krylov、K. M. Bormasheva、I. K. Moiseev

  DOI：10.1134/s1070428014110165

  日期：2014.11

  One-stage synthesis has been developed for the preparation of adamantyl-containing difluoroboron complexes of 1,3-dicarbonyl compounds from 1-(1-adamantyl)ethanone, boron trifluoride etherate, and carboxylic acids anhydrides. The reaction of the complexes with hydrazine hydrate and its derivatives afforded the corresponding adamantyl-containing pyrazoles.