ethyl 2-amino-4-(4-chlorophenyl)-7-hydroxy-4H-chromene-3-carboxylate | 130944-06-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: ethyl 2-amino-4-(4-chlorophenyl)-7-hydroxy-4H-chromene-3-carboxylate
• CAS: 130944-06-8
• 化学式: C₁₈H₁₆ClNO₄
• 分子量: 345.782
• InChiKey: MGCSJZUANWWLLW-UHFFFAOYSA-N

物化性质

• 熔点：
  223.8-224.9 °C
• 沸点：
  514.3±50.0 °C(Predicted)
• 密度：
  1.367±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  [(4-氯苯基)亚甲基]丙二酸二乙酯 、 间苯二酚 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以72%的产率得到ethyl 2-amino-4-(4-chlorophenyl)-7-hydroxy-4H-chromene-3-carboxylate
  参考文献：
  名称：

  Elagamey; El-Taweel, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 9, p. 885 - 886

  摘要：

  DOI：

文献信息

• Synthesis, characterization, and antibacterial evaluation of new alkyl 2-amino-4-aryl-4H-chromene-3-carboxylates
  作者：Sedighe Gholipour、Abolghasem Davoodnia、Mahboobeh Nakhaei-Moghaddam

  DOI：10.1007/s10593-015-1779-1

  日期：2015.9

  A series of alkyl 2-amino-4-aryl-4H-chromene-3-carboxylates was synthesized by an efficient, solvent-free one-pot three-component cyclocondensation of resorcinol, aromatic aldehydes, and ethyl or methyl cyanoacetate using sodium carbonate as catalyst. The present methodology offers several advantages, such as a simple procedure with ease of handling, short reaction time, high yields, and the absence of any volatile and hazardous organic solvents. The products were characterized on the basis of IR, H-1 NMR, and C-13 NMR spectral and microanalytical data and evaluated for their antibacterial activity against Gram-positive bacteria (Staphylococcus epidermidis and Staphylococcus aureus) and Gram-negative bacteria (Escherichia coli) using paper disc diffusion technique.
• GHANI, ALI ELAGAMEY ABDEL;MOHAMED, ABDEL AZIZ FATHY EL-TAWEEL, INDIAN J. CHEM. B , 29,(1990) N, C. 885-886
  作者：GHANI, ALI ELAGAMEY ABDEL、MOHAMED, ABDEL AZIZ FATHY EL-TAWEEL

  DOI：——

  日期：——
• Elagamey; El-Taweel, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 9, p. 885 - 886
  作者：Elagamey、El-Taweel

  DOI：——

  日期：——