1-(4-bromophenyl)-3-(3-methoxyphenyl)propane-1,3-dione | 1160616-93-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(4-bromophenyl)-3-(3-methoxyphenyl)propane-1,3-dione
• CAS: 1160616-93-2
• 化学式: C₁₆H₁₃BrO₃
• 分子量: 333.181
• InChiKey: UCUWGMMIZKQLBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(4-bromophenyl)-3-(3-methoxyphenyl)propane-1,3-dione 、 2-hydrazinyl-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine 以57.3%的产率得到2-(3-(4-bromophenyl)-5-(3-methoxyphenyl)-1H-pyrazol-1-yl)-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
  参考文献：
  名称：

  Synthesis and structure of new 1,3,5-triazine-pyrazole derivatives

  摘要：

  We have studied the reaction of methylenedicarbonyl compounds with 4,6-disubstituted 2-hydrazinyl-1,3,5-triazine in order to obtain novel coupled biheterocyclic aromatic systems with potential bioactivity. Reaction conditions were studied and optimized, and a series of 4,6-disubstituted 2-(1H-pyrazolyl)-1,3,5-triazines were obtained with good yield. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.054