6-Chloro-5-(4-iodo-phenylamino)-4,7-dioxo-4,7-dihydro-benzo[b]thiophene-2-carboxylic acid methyl ester

• 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: 6-Chloro-5-(4-iodo-phenylamino)-4,7-dioxo-4,7-dihydro-benzo[b]thiophene-2-carboxylic acid methyl ester
• 英文别名: Methyl 6-chloro-5-(4-iodoanilino)-4,7-dioxo-benzothiophene-2-carboxylate；methyl 6-chloro-5-(4-iodoanilino)-4,7-dioxo-1-benzothiophene-2-carboxylate
• 化学式: C₁₆H₉ClINO₄S
• 分子量: 473.675
• InChiKey: BFSUFLUIHLGEIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,6-二甲氧基-2-硝基苯甲醛 在 盐酸 、 cerium(III) chloride 、 硝酸 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成 6-Chloro-5-(4-iodo-phenylamino)-4,7-dioxo-4,7-dihydro-benzo[b]thiophene-2-carboxylic acid methyl ester
  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 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.