4-((5-hydroxy-1-phenyl-3-propyl-1H-pyrazol-4-yl)methylene)-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one | 96588-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-((5-hydroxy-1-phenyl-3-propyl-1H-pyrazol-4-yl)methylene)-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
• CAS: 96588-08-8
• 化学式: C₂₅H₂₆N₄O₂
• 分子量: 414.507
• InChiKey: JTTXTUWDXUIZIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  70.72
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-苯基-5-丙基-2,4-二氢-3H-吡唑-3-酮 、 formamide 在 三氯氧磷 作用下， 以92%的产率得到4-((5-hydroxy-1-phenyl-3-propyl-1H-pyrazol-4-yl)methylene)-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
  参考文献：
  名称：

  Novel Vilsmeier-type methylenation for synthesis of dipyrazolylmethane derivatives using formamide or N-methylformamide

  摘要：

  A novel Vilsmeier-type methylenation for synthesis of dipyrazolylmethanes was developed by reacting pyrazolones with formamide or N-methylformamide in the presence of phosphorous oxychloride POCl3 coupling agent. This method can efficiently provide a series of dipyrazolylmethane derivatives as the main products in excellent yields without the formylated products. Our experimental result was different with the classical Vilsmeier-type reaction. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.03.089

文献信息

• The Synthesis of Dipyrazolylmethanes, X-Ray Structure Analysis
  作者：Hengchang Ma、Yuan Ma、Jinxia Wang

  DOI：10.3987/com-13-12840

  日期：——

  A small dipyrazoylmethane compounds library was established via the reaction of 5-alkyl- and 5-aryl-2-aryl-3H-pyrazol-3-ones with DMSO in the presence of NaOAc center dot 3H(2)O as base using LiBr center dot H2O as additive at 100 degrees C.