1,1'-methylenebis(4-ethynyl-1H-pyrazole) | 943529-88-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1'-methylenebis(4-ethynyl-1H-pyrazole)
• 英文别名: 4-Ethynyl-1-[(4-ethynylpyrazol-1-yl)methyl]pyrazole
• CAS: 943529-88-2
• 化学式: C₁₁H₈N₄
• 分子量: 196.211
• InChiKey: ZXSTVNSQSBYZIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4,4'-[1,1'-methylenebis(1H-pyrazole-1,4-diyl)]bis(2-methylbut-3-yn-2-ol) 在 氢氧化钾 作用下， 以 甲苯 为溶剂， 反应 10.0h， 以92%的产率得到1,1'-methylenebis(4-ethynyl-1H-pyrazole)
  参考文献：
  名称：

  Synthesis of monomeric and oligomeric 1,1′-methylenebis-(1H-pyrazoles) contaning ethynyl fragments

  摘要：

  1,1'-Methylenebis(1H-pyrazole) and 1,1'-methylenebis(3,5-dimethyl-1H-pyrazole) reacted with iodine in the presence of iodic acid to give the corresponding 4,4'-diiodo derivatives. Polycondensation of the latter with p-diethynylbenzene led to the formation of oligomeric compounds. 1,1'-Methylenebis(4-iodo-1H-pyrazoles) were converted into 4,4'-diethynyl derivatives by the Sonogashira and reverse Favorskii reactions, and their oxidative polycondensation in the presence of copper(I) chloride in pyridine also gave oligomeric products with a molecular weight exceeding 9000.

  DOI：

  10.1134/s107042800609020x