2-acetylnaphthalen-1-yl 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate | 1005500-37-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-acetylnaphthalen-1-yl 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate
• CAS: 1005500-37-7
• 化学式: C₂₀H₁₅N₃O₃
• 分子量: 345.357
• InChiKey: JKUZUBUVYLSAQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.39
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  74.08
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-acetylnaphthalen-1-yl 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate 在 吡啶 、 potassium hydroxide 作用下， 反应 5.0h， 生成 3-(1-benzotriazolyl)-4-methyl-benzo[7,8]coumarin
  参考文献：
  名称：

  Synthesis and Cytotoxic Activity of Coumarin Derivatives Containing Benzotriazole Moieties

  摘要：

  Three coumarin derivatives containing benzotriazole moieties, 3-(1-benzotriazolyl)-4-methyl-coumarin (BMC), 3-(1-benzotriazolyl)-4-methyl-benzo[7,8]coumarin (BMBC), and 3-(4-methyl-1-benzotriazolyl)-4-methyl-benzo[7,8]coumarin (MBMBC), were synthesized. Among them, 3-(4-methyl-1-benzotriazolyl)-4-methyl-benzo[7,8] coumarin has been structurally characterized by X-ray crystallography. The cytotoxic effect by Sulforhodamine B (SRB) assay with these compounds against the human hepatocellular carcinoma cell lines (HepG-2) was carried out in vitro. The preliminary results showed that all compounds inhibit HepG-2 growth effectively.

  DOI：

  10.1080/10426500802561153
• 作为产物：
  描述：

  苯并噻唑-1-乙酸 、 2-乙酰基-1-萘酚 在 吡啶 、 三氯氧磷 作用下， 生成 2-acetylnaphthalen-1-yl 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate
  参考文献：
  名称：

  Synthesis and Cytotoxic Activity of Coumarin Derivatives Containing Benzotriazole Moieties

  摘要：

  Three coumarin derivatives containing benzotriazole moieties, 3-(1-benzotriazolyl)-4-methyl-coumarin (BMC), 3-(1-benzotriazolyl)-4-methyl-benzo[7,8]coumarin (BMBC), and 3-(4-methyl-1-benzotriazolyl)-4-methyl-benzo[7,8]coumarin (MBMBC), were synthesized. Among them, 3-(4-methyl-1-benzotriazolyl)-4-methyl-benzo[7,8] coumarin has been structurally characterized by X-ray crystallography. The cytotoxic effect by Sulforhodamine B (SRB) assay with these compounds against the human hepatocellular carcinoma cell lines (HepG-2) was carried out in vitro. The preliminary results showed that all compounds inhibit HepG-2 growth effectively.

  DOI：

  10.1080/10426500802561153