5,6-dichloro-2-(hydroxymethyl)benzo[b]thiophene-4,7-dione | 854373-66-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,6-dichloro-2-(hydroxymethyl)benzo[b]thiophene-4,7-dione
• 英文别名: 5,6-dichloro-2-(hydroxymethyl)-1-benzothiophene-4,7-dione
• CAS: 854373-66-3
• 化学式: C₉H₄Cl₂O₃S
• 分子量: 263.101
• InChiKey: QPJIHBLZMIHFRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5,6-dichloro-2-(hydroxymethyl)benzo[b]thiophene-4,7-dione 、 甲氧苯胺 在 cerium(III) chloride 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 6-Chloro-2-hydroxymethyl-5-(4-methoxy-phenylamino)-benzo[b]thiophene-4,7-dione
  参考文献：
  名称：

  Synthesis and antifungal activity of 5-arylamino-4,7-dioxobenzo[b]thiophenes

  摘要：

  5-Arylamino-4,7-dioxobenzo[b]thiophenes 3-6 were synthesized and tested for in vitro antifungal activity against Candida and Aspergillus species. 5-Arylamino-6-chloro-2-(methoxycarbonyl)-4,7-dioxobenzo[b]thiophenes 5 showed, in general, more potent antifungal activity against Candida species than the other 4,7-dioxobenzo[b]thiophenes 3, 4 and 6. The results suggest that 5-arylamino-4,7-dioxobenzo[b]thiophenes would be potent antifungal agents. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.042
• 作为产物：
  描述：

  (4,7-二甲氧基-1-苯并噻吩-2-基)甲醇 在 盐酸 、 硝酸 作用下， 反应 1.0h， 以48%的产率得到5,6-dichloro-2-(hydroxymethyl)benzo[b]thiophene-4,7-dione
  参考文献：
  名称：

  Synthesis and antifungal activity of 5-arylamino-4,7-dioxobenzo[b]thiophenes

  摘要：

  5-Arylamino-4,7-dioxobenzo[b]thiophenes 3-6 were synthesized and tested for in vitro antifungal activity against Candida and Aspergillus species. 5-Arylamino-6-chloro-2-(methoxycarbonyl)-4,7-dioxobenzo[b]thiophenes 5 showed, in general, more potent antifungal activity against Candida species than the other 4,7-dioxobenzo[b]thiophenes 3, 4 and 6. The results suggest that 5-arylamino-4,7-dioxobenzo[b]thiophenes would be potent antifungal agents. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.042