1-methyl-5-(1-hydroxydecyl)-4-trifluoromethylpyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-5-(1-hydroxydecyl)-4-trifluoromethylpyrazole
• 英文别名: 1-[2-Methyl-4-(trifluoromethyl)pyrazol-3-yl]decan-1-ol；1-[2-methyl-4-(trifluoromethyl)pyrazol-3-yl]decan-1-ol
• 化学式: C₁₅H₂₅F₃N₂O
• 分子量: 306.372
• InChiKey: SEPBLTRZHOJZSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-methyl-5-tributylstannyl-4-trifluoromethylpyrazole 、 癸醛 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 以79%的产率得到1-methyl-5-(1-hydroxydecyl)-4-trifluoromethylpyrazole
  参考文献：
  名称：

  Synthesis and reactions of 1-methyl-5-tributylstannyl-4-trifluoromethylpyrazole

  摘要：

  N-Methylation at the pyrazole ring by sequential treatment of 5-tributylstannyl-4-trifluoromethylpyrazole with LDA and iodomethane regioselectively provided the title compound in high yield. The addition reaction of 5-lithiated-4-trifluoromethylpyrazole with a wide range of electrophiles allowed easy and high-yielding introduction of substituents on position 5. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.04.043

文献信息

• Synthesis and reactions of 1-methyl-5-tributylstannyl-4-trifluoromethylpyrazole
  作者：Takeshi Hanamoto、Mikio Egashira、Kentaro Ishizuka、Hiroshi Furuno、Junji Inanaga

  DOI：10.1016/j.tet.2006.04.043

  日期：2006.6

  N-Methylation at the pyrazole ring by sequential treatment of 5-tributylstannyl-4-trifluoromethylpyrazole with LDA and iodomethane regioselectively provided the title compound in high yield. The addition reaction of 5-lithiated-4-trifluoromethylpyrazole with a wide range of electrophiles allowed easy and high-yielding introduction of substituents on position 5. (c) 2006 Elsevier Ltd. All rights reserved.