thiophene-2-sulfonic acid-(3-methoxy-phenyl ester)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: thiophene-2-sulfonic acid-(3-methoxy-phenyl ester)
• 英文别名: Thiophen-2-sulfonsaeure-(3-methoxy-phenylester)；(3-Methoxyphenyl) thiophene-2-sulfonate
• 化学式: C₁₁H₁₀O₄S₂
• 分子量: 270.33
• InChiKey: NTOBWOCYVKASGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-甲氧基苯酚 、 2-噻吩磺酰氯 在 吡啶 作用下， 生成 thiophene-2-sulfonic acid-(3-methoxy-phenyl ester)
  参考文献：
  名称：

  110.一些芳基2-噻吩砜的合成和噻吩-2-磺酰氯的硝化

  摘要：

  DOI：

  10.1039/jr9480000525

文献信息

• Synthesis, anti-oomycete activity, and SAR studies of paeonol derivatives
  作者：Yue-E Tian、Di Sun、Xiao-Xiao Han、Jin-Ming Yang、Song Zhang、Nan-Nan Feng、Li-Na Zhu、Zhong-Yuan Xu、Zhi-Ping Che、Sheng-Ming Liu、Xiao-Min Lin、Jia Jiang、Gen-Qiang Chen

  DOI：10.1080/10286020.2020.1718116

  日期：2021.2.1

  Three series of sulfonate derivatives of paeonol were synthesized and screened in vitro for their anti-oomycete activity against P. capsici, respectively. Among all the compounds, 4m displayed the best promising and pronounced anti-oomycete activity against P. capsici than zoxamide, with the EC50 values of 24.51 and 26.87 mg/L, respectively. The results show that acetyl and 4-OCH3 are two necessary groups. The existence of these two sites is closely related to the anti-oomycete activity. Relatively speaking, hydroxyl group is well tolerated, and the results showed that after modification of hydroxyl group with sulfonyl, the anti-oomycete activity was significantly increased.[GRAPHICS].