4-(4-fluorophenyl)-7-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine | 1418132-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-fluorophenyl)-7-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
• CAS: 1418132-01-0
• 化学式: C₁₈H₁₃FN₄
• 分子量: 304.326
• InChiKey: YTSLVUYRNWRFSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-acetyl-4-(4-fluorobenzoyl)-1-phenyl-1H-pyrazole 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.05h， 以90%的产率得到4-(4-fluorophenyl)-7-methyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
  参考文献：
  名称：

  Mg–Al hydrotalcite as an efficient catalyst for microwave assisted regioselective 1,3-dipolar cycloaddition of nitrilimines with the enaminone derivatives: A green protocol

  摘要：

  Microwave assisted generation of in situ nitrilimines and their regioselective 1,3-dipolar cycloaddition reaction with enaminones to produce pyrazole derivatives by Mg-Al hydrotalcite (Mg-Al HT) catalyst is introduced. Short reaction times with high yields (90-94%), the absence of an organic solvent and reuse of the catalyst for at least five times without loss of activity could regard as cost effective, environmentally friendly and greener process. The fresh and used catalysts were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman spectroscopy, N-2 physisorption and temperature programmed desorption by CO2 (CO2-TPD) to understand the role of hydrotalcite in the reaction mechanism and the robust nature of the catalyst. It appears that better microwave absorptivity of the catalyst with Mg-Al HT structure might be responsible for shorter reaction times with high yields. A plausible mechanism for 1,3-dipolar cycloaddition over the Mg-Al HT is proposed. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.11.009