5-Methoxy-2-methyl-benzoselenazole-4,7-dione | 847446-33-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Methoxy-2-methyl-benzoselenazole-4,7-dione
• 英文别名: 5-Methoxy-2-methyl-1,3-benzoselenazole-4,7-dione
• CAS: 847446-33-7
• 化学式: C₉H₇NO₃Se
• 分子量: 256.119
• InChiKey: DGWYNDYZCKXGCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对三氟甲基苯胺 、 5-Methoxy-2-methyl-benzoselenazole-4,7-dione 以 乙醇 为溶剂， 生成 2-Methyl-5-(4-trifluoromethyl-phenylamino)-benzoselenazole-4,7-dione
  参考文献：
  名称：

  Synthesis and antifungal activity of noble 5-arylamino- and 6-arylthio-4,7-dioxobenzoselenazoles

  摘要：

  5-Arylamino- and 6-arylthio-4,7-dioxobenzoselenazoles 4 and 5 were synthesized and tested for in vitro antifungal activity against Candida and Aspergillus species. 5-Arylamino-4,7-dioxobenzoselenazoles 4 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzoselenazoles 5. The results suggest that 5-arylamino-4,7-dioxobenzoselenazoles 4 would be potent antifungal agents. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.027
• 作为产物：
  描述：

  4-amino-5-methoxy-2-methylbenzoselenazole 在 KH₂PO₄ buffer 、 potassium nitrososulfonate 作用下， 反应 5.0h， 以59%的产率得到5-Methoxy-2-methyl-benzoselenazole-4,7-dione
  参考文献：
  名称：

  Synthesis and antifungal activity of noble 5-arylamino- and 6-arylthio-4,7-dioxobenzoselenazoles

  摘要：

  5-Arylamino- and 6-arylthio-4,7-dioxobenzoselenazoles 4 and 5 were synthesized and tested for in vitro antifungal activity against Candida and Aspergillus species. 5-Arylamino-4,7-dioxobenzoselenazoles 4 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzoselenazoles 5. The results suggest that 5-arylamino-4,7-dioxobenzoselenazoles 4 would be potent antifungal agents. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.027