-2,4-dimethoxy-5-(2-m-toluoylvinyl)pyrimidine | 152452-80-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: -2,4-dimethoxy-5-(2-m-toluoylvinyl)pyrimidine
• 英文别名: (E)-3-(2,4-dimethoxypyrimidin-5-yl)-1-(3-methylphenyl)prop-2-en-1-one
• CAS: 152452-80-7
• 化学式: C₁₆H₁₆N₂O₃
• 分子量: 284.315
• InChiKey: WFVKHZZBYNFCFS-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  -2,4-dimethoxy-5-(2-m-toluoylvinyl)pyrimidine 在 三甲基氯硅烷 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以70%的产率得到5-[(E)-3-(3-methylphenyl)-3-oxoprop-1-enyl]-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis and biological activities of [E]-5-(2-acylvinyl)uracils

  摘要：

  The synthesis of a number of 5-substituted uracils, eg [E]-5-(2-acylvinyl)uracils 8a-8g is described. These compounds were found to have cytotoxic activities against CCRF-CEM human lymphoblastoid cells, HT-29 colon carcinoma cells and L1210/0 mouse leukemia cells. These compounds were also found to inhibit thymidylate synthase.

  DOI：

  10.1016/0223-5234(93)90015-7
• 作为产物：
  描述：

  1-(间甲基苯基)-2-丙炔-1-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 lithium aluminium tetrahydride 、 jones' reagent 、 三乙胺 作用下， 以 乙醚 、 丙酮 为溶剂， 反应 42.5h， 生成 -2,4-dimethoxy-5-(2-m-toluoylvinyl)pyrimidine
  参考文献：
  名称：

  Synthesis and biological activities of [E]-5-(2-acylvinyl)uracils

  摘要：

  The synthesis of a number of 5-substituted uracils, eg [E]-5-(2-acylvinyl)uracils 8a-8g is described. These compounds were found to have cytotoxic activities against CCRF-CEM human lymphoblastoid cells, HT-29 colon carcinoma cells and L1210/0 mouse leukemia cells. These compounds were also found to inhibit thymidylate synthase.

  DOI：

  10.1016/0223-5234(93)90015-7

文献信息

• Synthesis and biological activities of [E]-5-(2-acylvinyl)uracils
  作者：NG Kundu、SK Dasgupta、LN Chaudhuri、JS Mahanty、CP Spears、AH Shahinian

  DOI：10.1016/0223-5234(93)90015-7

  日期：1993.1

  The synthesis of a number of 5-substituted uracils, eg [E]-5-(2-acylvinyl)uracils 8a-8g is described. These compounds were found to have cytotoxic activities against CCRF-CEM human lymphoblastoid cells, HT-29 colon carcinoma cells and L1210/0 mouse leukemia cells. These compounds were also found to inhibit thymidylate synthase.