3-phenyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide | 1206190-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide
• CAS: 1206190-36-4
• 化学式: C₁₉H₂₂N₄O₃
• 分子量: 354.409
• InChiKey: PZFBUOGSWVWYCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  93.16
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-phenyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide 、 1,1,1-trifluoro-4-methoxypent-3-en-2-one 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 4-methyl-2-(3-phenyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
  参考文献：
  名称：

  Straightforward and Clean Ultrasound-Promoted Synthesis of 2-(4,5-Dihydro-1H-pyrazol-1-yl)pyrimidines

  摘要：

  A series of twelve novel 2-(pyrazol-1-yl) pyrimidine derivatives was easily obtained under ultrasonic conditions by the cyclocondensation reaction of 1-carboxamidino-pyrazoles with 4-methoxyvinyl-trifluoromethyl ketones using ethanol as an environment-friendly solvent in the presence of potassium hydroxide. Comparison of the ultrasound-promoted reaction with classical methodology shows that the former is faster and gives better yield. The products were isolated in excellent purity grades without purification by chromatography or recrystalization.

  DOI：

  10.5935/0103-5053.20150078
• 作为产物：
  描述：

  3,4,5-trimethoxychalcone 、 肼甲酰亚胺酰胺一氯化氢 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以90%的产率得到3-phenyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carboximidamide
  参考文献：
  名称：

  Efficient sonochemical synthesis of novel 3,5-diaryl-4,5-dihydro-1H-pyrazole-1-carboximidamides

  摘要：

  An Ultrasound-assisted preparation of a series of novel 3,5-diaryl-4,5-dihydro-1H-pyrazole-1-carboximidamides that proceeds via the efficient reaction of chalcones with aminoguanidine hydrochloride under clean conditions is described. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2009.06.013