3-(2,5-dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one | 16212-48-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(2,5-dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
• 英文别名: (E)-3-(2,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
• CAS: 16212-48-9
• 化学式: C₁₆H₁₅NO₃
• 分子量: 269.3
• InChiKey: MXWUWTHBHFQMEO-GQCTYLIASA-N

物化性质

• 沸点：
  456.8±45.0 °C(predicted)
• 密度：
  1.165±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2,5-dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one 、 piperidine-1-carboxamidine hydrochloride 在 sodium isopropylate 作用下， 以 异丙醇 为溶剂， 反应 8.0h， 以58%的产率得到
  参考文献：
  名称：

  Synthesis of 2,4,6-trisubstituted pyrimidines as antimalarial agents

  摘要：

  A series of 2,4,6-trisubstituted-pyrimidines were synthesized and evaluated for their in vitro antimalarial activity against Plasmodium falciparum. Of the 18 compounds synthesized, 14 compounds have shown MIC in the range of 0.25-2 mu g/mL. These compounds are in vitro severalfold more active than pyrimethamine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.061
• 作为产物：
  描述：

  4-乙酰吡啶 、 2,5-二甲氧基苯甲醛 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以58%的产率得到3-(2,5-dimethoxyphenyl)-1-(pyridin-4-yl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis of 2,4,6-trisubstituted pyrimidines as antimalarial agents

  摘要：

  A series of 2,4,6-trisubstituted-pyrimidines were synthesized and evaluated for their in vitro antimalarial activity against Plasmodium falciparum. Of the 18 compounds synthesized, 14 compounds have shown MIC in the range of 0.25-2 mu g/mL. These compounds are in vitro severalfold more active than pyrimethamine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.061

文献信息

• Synthesis of 2,4,6-trisubstituted pyrimidines as antimalarial agents
  作者：Anu Agarwal、Kumkum Srivastava、S.K. Puri、Prem M.S. Chauhan

  DOI：10.1016/j.bmc.2005.04.061

  日期：2005.8

  A series of 2,4,6-trisubstituted-pyrimidines were synthesized and evaluated for their in vitro antimalarial activity against Plasmodium falciparum. Of the 18 compounds synthesized, 14 compounds have shown MIC in the range of 0.25-2 mu g/mL. These compounds are in vitro severalfold more active than pyrimethamine. (c) 2005 Elsevier Ltd. All rights reserved.