4-((furan-2-yl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)-3-methyl-1H-pyrazol-5-ol | 432003-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 4-((furan-2-yl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)-3-methyl-1H-pyrazol-5-ol
• 英文别名: 4,4'-(furan-2-ylmethanediyl)bis(3-methyl-1H-pyrazol-5-ol)；4-[furan-2-yl-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
• CAS: 432003-17-3；944791-11-1
• 化学式: C₁₃H₁₄N₄O₃
• 分子量: 274.279
• InChiKey: DVAUAHFDNKWRKC-UHFFFAOYSA-N

物化性质

• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  95.4
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  糠醛 、 乙酰乙酸乙酯 在 三氟乙酸吡啶 、 一水合肼 作用下， 以 水 为溶剂， 反应 13.25h， 以80%的产率得到4-((furan-2-yl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)-3-methyl-1H-pyrazol-5-ol
  参考文献：
  名称：

  Synthesis of 4,4′-(arylmethylene)bis(3-methyl-1H-pyrazol-5-ol) derivatives in water

  摘要：

  摘要 报道了一种环保且简单的方法，通过在70°C下使用吡啶三氟乙酸盐或醋酸，在水中对肼水合物、乙酰乙酸乙酯和醛进行一锅伪五组分反应，合成一些4,4′-(芳基亚甲基)双(3-甲基-1H-吡唑-5-醇)衍生物。

  DOI：

  10.1016/j.crci.2012.07.003

文献信息

• N -Methylimidazolium perchlorate as a new ionic liquid for the synthesis of bis(pyrazol-5-ol)s under solvent-free conditions
  作者：Nader Ghaffari Khaligh、Sharifah Bee Abd Hamid、Salam J.J. Titinchi

  DOI：10.1016/j.cclet.2015.07.027

  日期：2016.1

  N-Methylimidazolium perchlorate ([MIm]ClO4) was synthesized and some of its physico-chemical properties, such as density, surface tension were investigated. A thermo gravimetric analysis (TGA) and solvent performance were also studied. The results show that this ionic liquid is an excellent catalyst for the synthesis of 4,4'-(arylmethylene)bis(1H-pyrazol-5-ol) derivatives under solvent-free conditions. This method has the advantages of high yield, clean transformation, simple operation and short reaction time. The ionic liquid can be recycled without significant loss of activity. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
• Synthesis of 4,4′-(arylmethylene)bis(3-methyl-1H-pyrazol-5-ol) derivatives in water
  作者：Ebrahim Soleimani、Somayeh Ghorbani、Mojtaba Taran、Afshin Sarvary

  DOI：10.1016/j.crci.2012.07.003

  日期：2012.11

  Résumé An environmentally friendly and simple method for the synthesis of some 4,4′-(arylmethylene)bis(3-methyl-1H-pyrazol-5-ol) derivatives via a one-pot pseudo five-component reaction of hydrazine hydrate, ethyl acetoacetate and aldehydes in water using pyridine trifluoroacetate or acetic acid at 70 °C is reported.

  摘要 报道了一种环保且简单的方法，通过在70°C下使用吡啶三氟乙酸盐或醋酸，在水中对肼水合物、乙酰乙酸乙酯和醛进行一锅伪五组分反应，合成一些4,4′-(芳基亚甲基)双(3-甲基-1H-吡唑-5-醇)衍生物。