3-(4-methoxyphenyl)-5-propyl-1H-pyrazole | 1438408-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-methoxyphenyl)-5-propyl-1H-pyrazole
• CAS: 1438408-02-6
• 化学式: C₁₃H₁₆N₂O
• 分子量: 216.283
• InChiKey: NJKRULYOOUQVLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 乙腈 为溶剂， 反应 0.33h， 以79.4 mg的产率得到3-(4-methoxyphenyl)-5-propyl-1H-pyrazole
  参考文献：
  名称：

  Facile One-Pot Synthesis of 3,5-Disubstituted 1H-Pyrazoles from Propargylic Alcohols via Propargyl Hydrazides

  摘要：

  A new and efficient metal-free, two-component, one-pot approach to a variety of 3,5-disubstituted 1H-pyrazoles has been developed from propargylic alcohols. This transformation proceeds via an acid-catalyzed propargylation of N,N-diprotected hydrazines followed by base-mediated 5-endo-dig cyclization leading to 3,5-disubstituted 1H-pyrazoles in good overall yields.

  DOI：

  10.1055/s-0032-1316856

文献信息

• Facile One-Pot Synthesis of 3,5-Disubstituted 1H-Pyrazoles from Propargylic Alcohols via Propargyl Hydrazides
  作者：Chada Raji Reddy、Jonnalagadda Vijaykumar、René Grée

  DOI：10.1055/s-0032-1316856

  日期：——

  A new and efficient metal-free, two-component, one-pot approach to a variety of 3,5-disubstituted 1H-pyrazoles has been developed from propargylic alcohols. This transformation proceeds via an acid-catalyzed propargylation of N,N-diprotected hydrazines followed by base-mediated 5-endo-dig cyclization leading to 3,5-disubstituted 1H-pyrazoles in good overall yields.