5,6-dichloro-2-(methoxycarbonyl)benzo[b]thiophene-4,7-dione | 854373-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5,6-dichloro-2-(methoxycarbonyl)benzo[b]thiophene-4,7-dione
• 英文别名: methyl 5,6-dichloro-4,7-dioxo-4,7-dihydro-1-benzothiophene-2-carboxylate；Methyl 5,6-dichloro-4,7-dioxo-1-benzothiophene-2-carboxylate；methyl 5,6-dichloro-4,7-dioxo-1-benzothiophene-2-carboxylate
• CAS: 854373-65-2
• 化学式: C₁₀H₄Cl₂O₄S
• 分子量: 291.111
• InChiKey: XDVAJEHHGMNLHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  88.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,6-dichloro-2-(methoxycarbonyl)benzo[b]thiophene-4,7-dione 、 4-氯吡啶 以 乙醇 为溶剂， 反应 2.0h， 生成 Methyl 6-chloro-5-(4-chloropyridin-1-ium-1-yl)-4,7-dioxo-1-benzothiophene-2-carboxylate;chloride
  参考文献：
  名称：

  Synthesis and antifungal activity of 1-thia-4b-aza-cyclopenta[b]fluorene-4,10-diones

  摘要：

  1-Thia-4b-aza-cyclopenta[b]fluorene-4,10-diones were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Among them tested, many compounds showed good antifungal activity. The results suggest that 1-thia-4b-aza-cyclopenta[b]fluorene-4,10-diones would be antifungal agents. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.097
• 作为产物：
  描述：

  methyl 4,7-dimethoxy-1-benzothiophene-2-carboxylate 在 盐酸 、 硝酸 作用下， 反应 1.0h， 以79%的产率得到5,6-dichloro-2-(methoxycarbonyl)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

文献信息

• Synthesis and antifungal activity of 1-thia-4b-aza-cyclopenta[b]fluorene-4,10-diones
  作者：Chung-Kyu Ryu、Aram Kim、Hyun Ah Im、Ji Young Kim

  DOI：10.1016/j.bmcl.2012.07.097

  日期：2012.9

  1-Thia-4b-aza-cyclopenta[b]fluorene-4,10-diones were synthesized and tested for in vitro antifungal activity against two pathogenic strains of fungi. Among them tested, many compounds showed good antifungal activity. The results suggest that 1-thia-4b-aza-cyclopenta[b]fluorene-4,10-diones would be antifungal agents. (c) 2012 Elsevier Ltd. All rights reserved.
• Synthesis and antifungal activity of 5-arylamino-4,7-dioxobenzo[b]thiophenes
  作者：Chung-Kyu Ryu、Su-Kyung Lee、Ja-Young Han、Ok-Jai Jung、Jung Yoon Lee、Seong Hee Jeong

  DOI：10.1016/j.bmcl.2005.03.042

  日期：2005.5

  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.