4,4'-((1,2-phenylenebis(methylene))bis(3,5-dimethyl-1H-pyrazole-1,4-diyl))bis(2-methylbut-3-yn-2-ol) | 1558795-23-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4'-((1,2-phenylenebis(methylene))bis(3,5-dimethyl-1H-pyrazole-1,4-diyl))bis(2-methylbut-3-yn-2-ol)
• CAS: 1558795-23-5
• 化学式: C₂₈H₃₄N₄O₂
• 分子量: 458.604
• InChiKey: QABWHAQZHRCOTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  76.1
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-((1,2-phenylenebis(methylene))bis(3,5-dimethyl-1H-pyrazole-1,4-diyl))bis(2-methylbut-3-yn-2-ol) 在 potassium hydroxide 作用下， 生成 1,2-bis((4-ethynyl-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzene
  参考文献：
  名称：

  Fluorescence quenching features in non-conjugated diacetylene oligomers

  摘要：

  It was found that, in diacetylene oligomers constisred of monomer units with an non-conjugated system of pi-electrons, the efficiency of fluorescence quenching depends on the chain length within the range from 2 to 40 repeating units. This effect is consistent with the model of propagation of delocalized excitons in a noncovalent aggregate of several oligomer chains. The result obtained in the study confirms the assumption that a collective effect due to excitons can exist in a supramolecular aggregate of non-conjugated molecules.

  DOI：

  10.1134/s1070427213110062
• 作为产物：
  描述：

  1,2-双[(3,5-二甲基吡唑-1-基)甲基]苯 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 硫酸 、 碘 、 碘酸 、 potassium carbonate 、 溶剂黄146 作用下， 生成 4,4'-((1,2-phenylenebis(methylene))bis(3,5-dimethyl-1H-pyrazole-1,4-diyl))bis(2-methylbut-3-yn-2-ol)
  参考文献：
  名称：

  Fluorescence quenching features in non-conjugated diacetylene oligomers

  摘要：

  It was found that, in diacetylene oligomers constisred of monomer units with an non-conjugated system of pi-electrons, the efficiency of fluorescence quenching depends on the chain length within the range from 2 to 40 repeating units. This effect is consistent with the model of propagation of delocalized excitons in a noncovalent aggregate of several oligomer chains. The result obtained in the study confirms the assumption that a collective effect due to excitons can exist in a supramolecular aggregate of non-conjugated molecules.

  DOI：

  10.1134/s1070427213110062