4-(4-benzothiazol-2-yl-phenoxymethyl)-6-methyl-chromen-2-one

• 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: 4-(4-benzothiazol-2-yl-phenoxymethyl)-6-methyl-chromen-2-one
• 英文别名: 4-[[4-(1,3-Benzothiazol-2-yl)phenoxy]methyl]-6-methylchromen-2-one
• 化学式: C₂₄H₁₇NO₃S
• 分子量: 399.47
• InChiKey: BPQYGQAJEGKKHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-methyl-4-bromomethylcoumarin 在 potassium carbonate 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 反应 32.0h， 生成 4-(4-benzothiazol-2-yl-phenoxymethyl)-6-methyl-chromen-2-one
  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.