2-acetyl-5-methoxyphenyl 4-nitrobenzoate | 36695-18-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-acetyl-5-methoxyphenyl 4-nitrobenzoate
• 英文别名: 4'-methoxy-2'-(4-nitrobenzoyloxy)acetophenone；p-Nitrobenzoesaeure-(2-acetyl-4-methoxyphenyl)ester；(2-acetyl-5-methoxyphenyl) 4-nitrobenzoate
• CAS: 36695-18-8
• 化学式: C₁₆H₁₃NO₆
• 分子量: 315.282
• InChiKey: MNTUZTPFQZHSEB-UHFFFAOYSA-N

物化性质

• 熔点：
  95-97 °C(Solv: ethanol (64-17-5))
• 沸点：
  532.3±50.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  23.0
• 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：
  95.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-acetyl-5-methoxyphenyl 4-nitrobenzoate 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以48%的产率得到1-(2-hydroxy-4-methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione
  参考文献：
  名称：

  Cunningham, Bernadette D. M.; Lowe, Philip R.; Threadgill, Michael D., Journal of the Chemical Society. Perkin transactions II, 1989, p. 1275 - 1284

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲氧基苯酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 三氯化硼 4-二甲氨基吡啶 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 3.17h， 生成 2-acetyl-5-methoxyphenyl 4-nitrobenzoate
  参考文献：
  名称：

  Cunningham, Bernadette D. M.; Lowe, Philip R.; Threadgill, Michael D., Journal of the Chemical Society. Perkin transactions II, 1989, p. 1275 - 1284

  摘要：

  DOI：

文献信息

• Efficient Synthesis of Nitroflavones by Cyclodehydrogenation of 2′-Hydroxychalcones and by the Baker-Venkataraman Method
  作者：Ana I. R. N. A. Barros、Artur M. S. Silva

  DOI：10.1007/s00706-006-0550-9

  日期：2006.12

  Several nitroflavone derivatives were synthesized by cyclodehydrogenation of 2'-hydroxychalcones and by the Baker-Venkataraman approach, starting from 2'-hydroxyacetophenones and benzoic acid derivatives. Nitroflavones synthesised by the first synthetic approach were obtained in better global yields than those obtained by the later method. The structures of all new compounds were elucidated by microanalyses, 1D and 2D NMR, IR, and mass spectroscopic measurements.
• Assessment of antiplatelet activity of 2-aminopyrimidines
  作者：Rajani Giridhar、Riyaj S. Tamboli、R. Ramajayam、Dhaval G. Prajapati、M.R. Yadav

  DOI：10.1016/j.ejmech.2012.01.035

  日期：2012.4

  A series of 4,6-diaryl-2-aminopyrimidines was developed as antiplatelet agents and their potency was evaluated by in vitro assay. Compound 14k was found to be two times more potent than aspirin. These encouraging results could be helpful for the development of new antiplatelet compounds. (C) 2012 Elsevier Masson SAS. All rights reserved.