3,4-bis(3-hydroxyprop-1-ynyl)-1-tritylpyrazole | 1242028-52-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 3,4-bis(3-hydroxyprop-1-ynyl)-1-tritylpyrazole
• 英文别名: 3-[3-(3-Hydroxyprop-1-ynyl)-1-tritylpyrazol-4-yl]prop-2-yn-1-ol；3-[3-(3-hydroxyprop-1-ynyl)-1-tritylpyrazol-4-yl]prop-2-yn-1-ol
• CAS: 1242028-52-9
• 化学式: C₂₈H₂₂N₂O₂
• 分子量: 418.495
• InChiKey: AKHICKWAUDCGOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  58.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4-diiodo-1-tritylpyrazole 、 2-丙炔-1-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.05h， 以82%的产率得到3,4-bis(3-hydroxyprop-1-ynyl)-1-tritylpyrazole
  参考文献：
  名称：

  Microwave-Assisted Selective Synthesis of 2H-Indazoles via Double Sonogashira Coupling of 3,4-Diiodopyrazoles and Bergman–Masamune Cycloaromatization

  摘要：

  The microwave-assisted double Sonogashira coupling of 3,4-diiodo-1-trityl and 1-phenylpyrazole with terminal acetylene took only three minutes. Dialkynylpyrazoles, the coupling products, were heated at 240 degrees C in the presence of 1,4-cyclohexadiene to obtain 2H-2-trityl and 2-phenylindazoles, respectively. This synthetic route to 2H-indazole, which was achieved via cyclization to form the 6-membered ring of dialkynylpyrazole, is a novel procedure.

  DOI：

  10.3987/com-10-11950

文献信息

• Microwave-Assisted Selective Synthesis of 2H-Indazoles via Double Sonogashira Coupling of 3,4-Diiodopyrazoles and Bergman–Masamune Cycloaromatization
  作者：Hayato Ichikawa、Haruhiko Ohfune、Yoshihide Usami

  DOI：10.3987/com-10-11950

  日期：——

  The microwave-assisted double Sonogashira coupling of 3,4-diiodo-1-trityl and 1-phenylpyrazole with terminal acetylene took only three minutes. Dialkynylpyrazoles, the coupling products, were heated at 240 degrees C in the presence of 1,4-cyclohexadiene to obtain 2H-2-trityl and 2-phenylindazoles, respectively. This synthetic route to 2H-indazole, which was achieved via cyclization to form the 6-membered ring of dialkynylpyrazole, is a novel procedure.