3-(6-methyl-2-oxo-2H-chromen-4-ylmethoxy)-benzaldehyde

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(6-methyl-2-oxo-2H-chromen-4-ylmethoxy)-benzaldehyde
• 英文别名: 3-[(6-Methyl-2-oxochromen-4-yl)methoxy]benzaldehyde
• 化学式: C₁₈H₁₄O₄
• 分子量: 294.307
• InChiKey: XESUQLVHFMEFRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(6-methyl-2-oxo-2H-chromen-4-ylmethoxy)-benzaldehyde 、 乙酰乙酸乙酯 在 盐酸 、 氨 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.07h， 以92%的产率得到2,6-dimethyl-4-[3-(6-methyl-2-oxo-2H-chromen-4-ylmethoxy)-phenyl]-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Shivashankar; Shastri, Lokesh A.; Kulkarni, Manohar V., Journal of the Indian Chemical Society, 2009, vol. 86, # 3, p. 265 - 271

  摘要：

  DOI：
• 作为产物：
  描述：

  间羟基苯甲醛 、 6-methyl-4-bromomethylcoumarin 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以72%的产率得到3-(6-methyl-2-oxo-2H-chromen-4-ylmethoxy)-benzaldehyde
  参考文献：
  名称：

  The Synthesis and Biological Evaluation of Regioisomeric Benzothiazolyl Coumarins

  摘要：

  Various 4-aryloxymethylcoumarins have been obtained by the r.t. allylic substitution with formylphenols. These have been further reacted with o-aminothiophenol resulting in the formation of a benzothiazole skeleton. These compounds have been synthesised with a view to study their potential as microbial growth inhibitors. Comparative studies on the spectral and antimicrobial activities have also been carried out.

  DOI：

  10.1080/10426500600614550

文献信息

• The Synthesis and Biological Evaluation of Regioisomeric Benzothiazolyl Coumarins
  作者：K. Shivashankar、Manohar V. Kulkarni、Lokesh A. Shastri、Vijaykumar P. Rasal、Sandur V. Rajendra

  DOI：10.1080/10426500600614550

  日期：2006.9.1

  Various 4-aryloxymethylcoumarins have been obtained by the r.t. allylic substitution with formylphenols. These have been further reacted with o-aminothiophenol resulting in the formation of a benzothiazole skeleton. These compounds have been synthesised with a view to study their potential as microbial growth inhibitors. Comparative studies on the spectral and antimicrobial activities have also been carried out.
• Shivashankar; Shastri, Lokesh A.; Kulkarni, Manohar V., Journal of the Indian Chemical Society, 2009, vol. 86, # 3, p. 265 - 271
  作者：Shivashankar、Shastri, Lokesh A.、Kulkarni, Manohar V.、Rasal, Vijaykumar P.、Saindane, Deepak M.

  DOI：——

  日期：——