4-Nitro-benzenesulfonic acid 2-acetyl-phenyl ester | 55660-66-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Nitro-benzenesulfonic acid 2-acetyl-phenyl ester
• 英文别名: 2-Acetylphenyl 4-nitrobenzenesulfonate；(2-acetylphenyl) 4-nitrobenzenesulfonate
• CAS: 55660-66-7
• 化学式: C₁₄H₁₁NO₆S
• 分子量: 321.31
• InChiKey: BQGWQAXVQXVVFH-UHFFFAOYSA-N

物化性质

• 沸点：
  517.8±50.0 °C(Predicted)
• 密度：
  1.418±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2'-羟基苯乙酮 、 对硝基苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到4-Nitro-benzenesulfonic acid 2-acetyl-phenyl ester
  参考文献：
  名称：

  Synthesis, anti-oomycete activity, and SAR studies of paeonol derivatives

  摘要：

  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].

  DOI：

  10.1080/10286020.2020.1718116

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].