6-acetamido-4,7-dimethoxybenzothiazole-2-carbonitrile | 261352-84-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 6-acetamido-4,7-dimethoxybenzothiazole-2-carbonitrile
• 英文别名: N-(2-cyano-4,7-dimethoxy-1,3-benzothiazol-6-yl)acetamide
• CAS: 261352-84-5
• 化学式: C₁₂H₁₁N₃O₃S
• 分子量: 277.304
• InChiKey: UCMBDGKKYOITSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-acetamido-4,7-dimethoxybenzothiazole-2-carbonitrile 在 ammonium cerium(IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 0.25h， 以56%的产率得到6-acetamido-2-cyano-4,7-dioxo-4,7-dihydrobenzothiazole
  参考文献：
  名称：

  Synthesis and in vitro antitumour evaluation of benzothiazole-2-carbonitrile derivatives

  摘要：

  Novel benzothiazole derivatives have been synthesised via the corresponding imino-1,2,3-dithiazoles. The cytotoxicity of some of these polyheterocyclic compounds was studied. Our results show that 2-cyano derivatives exhibit a medium in vitro antitumour activity. (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00130-0
• 作为产物：
  描述：

  4-acetamido-2,5-dimethoxyaniline 在 吡啶 、 pyridinium hydrobromide perbromide 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 3.75h， 生成 6-acetamido-4,7-dimethoxybenzothiazole-2-carbonitrile
  参考文献：
  名称：

  Synthesis and in vitro antitumour evaluation of benzothiazole-2-carbonitrile derivatives

  摘要：

  Novel benzothiazole derivatives have been synthesised via the corresponding imino-1,2,3-dithiazoles. The cytotoxicity of some of these polyheterocyclic compounds was studied. Our results show that 2-cyano derivatives exhibit a medium in vitro antitumour activity. (C) 1999 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(99)00130-0

文献信息

• Synthesis and in vitro antitumour evaluation of benzothiazole-2-carbonitrile derivatives
  作者：Valérie Bénéteau、Thierry Besson、Jérôme Guillard、Stéphane Léonce、Bruno Pfeiffer

  DOI：10.1016/s0223-5234(99)00130-0

  日期：1999.12

  Novel benzothiazole derivatives have been synthesised via the corresponding imino-1,2,3-dithiazoles. The cytotoxicity of some of these polyheterocyclic compounds was studied. Our results show that 2-cyano derivatives exhibit a medium in vitro antitumour activity. (C) 1999 Editions scientifiques et medicales Elsevier SAS.