5-(4-Methoxy-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 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-Methoxy-phenylamino)-4,7-dioxo-4,7-dihydro-benzo[b]thiophene-2-carboxylic acid methyl ester
• 英文别名: Methyl 5-(4-methoxyanilino)-4,7-dioxo-benzothiophene-2-carboxylate；methyl 5-(4-methoxyanilino)-4,7-dioxo-1-benzothiophene-2-carboxylate
• 化学式: C₁₇H₁₃NO₅S
• 分子量: 343.36
• InChiKey: BLLYJIFPAAGPOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 4,7-dihydro-4,7-dioxobenzothiophene-2-carboxylate 、 甲氧苯胺 在 cerium(III) chloride 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 5-(4-Methoxy-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.