1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenyl-oxy)ethanone | 400842-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenyl-oxy)ethanone
• 英文别名: 1-(3,5-Dimethylpyrazol-1-yl)-2-(3-methylphenoxy)ethanone
• CAS: 400842-60-6
• 化学式: C₁₄H₁₆N₂O₂
• mdl: MFCD01366738
• 分子量: 244.293
• InChiKey: ITZWQDIQCHDNSG-UHFFFAOYSA-N

物化性质

• 沸点：
  409.5±47.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间甲苯氧基乙酸肼 、 乙酰丙酮 在 iron 作用下， 以 水 为溶剂， 反应 0.67h， 以84%的产率得到1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methylphenyl-oxy)ethanone
  参考文献：
  名称：

  生物表面活性剂稳定的铁纳米颗粒在水中的催化作用下合成喹喔啉，苯并咪唑和吡唑衍生物

  摘要：

  摘要 我们已经报告了可再生天然资源乳香锯缘青蟹植物的叶片提取物的无定形铁纳米颗粒（FeNPs）的合成，表征和催化应用。通过添加金合欢荚果荚提取物原位稳定合成的FeNPs作为生物表面活性剂（pH 3.11）。使用紫外可见光谱，X射线衍射分析，选定区域电子衍射，能量色散X射线光谱，扫描电子显微镜，透射电子显微镜，X射线光电子光谱，热重分析，和BET分析。FeNPs本质上是无定形的，平均粒径约为19 nm，已成功地用作在环境条件下在水性介质中合成喹喔啉，苯并咪唑和吡唑衍生物的非均相催化剂。FeNPs可以循环使用多达五次，而催化活性变化不大。 图形摘要

  DOI：

  10.1007/s11164-020-04240-6

文献信息

• Hydrotrope: green and rapid approach for the catalyst-free synthesis of pyrazole derivatives
  作者：Madhuri Barge、Santosh Kamble、Arjun Kumbhar、Gajanan Rashinkar、Rajashri Salunkhe

  DOI：10.1007/s00706-013-0944-4

  日期：2013.8

  An efficient synthesis of pyrazole derivatives by condensation of 1,3-diketone and hydrazines/hydrazides has been achieved in aqueous hydrotropic solution under catalyst-free conditions within a very short time. The present protocol is beneficial as it includes mild reaction conditions, shorter reaction times, use of universal solvent water, which avoids volatile organic solvents, high yields of products, and being environmentally friendly.
• An efficient practical chemo-enzymatic protocol for the synthesis of pyrazoles in aqueous medium at ambient temperature
  作者：Ananda Mane、Prabha Salokhe、Pallavi More、Rajashri Salunkhe

  DOI：10.1016/j.molcatb.2015.05.020

  日期：2015.11

  An expeditious oxidative cyclocondensation reaction of hydrazines/hydrazides with 1,3-dicarbonyl compound was efficiently developed in aqueous medium using Saccharomyces cerevisae (baker's yeast) as a whole cell biocatalyst at room temperature. The method has been assigned using green chemistry measures and found to give a range of N-substituted pyrazoles with moderate to excellent yields (70-92%). The reaction progress was monitored by gas chromatography. (C) 2015 Elsevier B.V. All rights reserved.
• Synthesis of quinoxaline, benzimidazole and pyrazole derivatives under the catalytic influence of biosurfactant-stabilized iron nanoparticles in water
  作者：Satyanarayan M. Arde、Audumbar D. Patil、Ananda H. Mane、Prabha R. Salokhe、Rajashri S. Salunkhe

  DOI：10.1007/s11164-020-04240-6

  日期：2020.11

  thermogravimetric analysis, and BET analysis. The FeNPs were amorphous in nature with average particle size ~ 19 nm and successfully employed as heterogeneous catalyst for the synthesis of quinoxaline, benzimidazole, and pyrazole derivatives in aqueous medium at ambient conditions. The FeNPs could be recycled up to five times with modest change in the catalytic activity. Graphic abstract

  摘要 我们已经报告了可再生天然资源乳香锯缘青蟹植物的叶片提取物的无定形铁纳米颗粒（FeNPs）的合成，表征和催化应用。通过添加金合欢荚果荚提取物原位稳定合成的FeNPs作为生物表面活性剂（pH 3.11）。使用紫外可见光谱，X射线衍射分析，选定区域电子衍射，能量色散X射线光谱，扫描电子显微镜，透射电子显微镜，X射线光电子光谱，热重分析，和BET分析。FeNPs本质上是无定形的，平均粒径约为19 nm，已成功地用作在环境条件下在水性介质中合成喹喔啉，苯并咪唑和吡唑衍生物的非均相催化剂。FeNPs可以循环使用多达五次，而催化活性变化不大。 图形摘要