methyl 3-methoxy-4-((phenylsulfonyl)oxy)benzoate | 723291-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 3-methoxy-4-((phenylsulfonyl)oxy)benzoate
• 英文别名: Methyl 4-(benzenesulfonyloxy)-3-methoxybenzoate
• CAS: 723291-00-7
• 化学式: C₁₅H₁₄O₆S
• 分子量: 322.339
• InChiKey: ULUQSFJRHMZRFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  香草酸甲酯 、 sodium benzenesulfonate 以 水 、 乙腈 为溶剂， 反应 2.0h， 以83%的产率得到methyl 3-methoxy-4-((phenylsulfonyl)oxy)benzoate
  参考文献：
  名称：

  苯酚与芳烃亚磺酸钠的实用电氧化磺酰化生成芳基磺酸酯

  摘要：

  已经通过电氧化开发了一种实用且可持续的芳基磺酸酯合成方法。该反应使用稳定且容易获得的苯酚和芳基亚磺酸钠作为起始材料，在温和的反应条件下进行，无需额外的氧化剂。包括那些带有官能团的芳基磺酸酯以良好至极好的产率生产。该反应也可以在不降低反应效率的情况下以克级进行。这些结果很好地证明了该反应在有机合成中的潜在合成价值。

  DOI：

  10.1021/acs.joc.1c00260

文献信息

• Mechanism of Drug Resistance of Hemagglutinin of Influenza Virus and Potent Scaffolds Inhibiting Its Function
  作者：Hiroshi Yanagita、Norio Yamamoto、Hideyoshi Fuji、Xinli Liu、Masakazu Ogata、Mizuho Yokota、Hiroshi Takaku、Hideki Hasegawa、Takato Odagiri、Masato Tashiro、Tyuji Hoshino

  DOI：10.1021/cb200332k

  日期：2012.3.16

  Highly pathogenic influenza viruses have become a global threat to humans. It is important to select an affective therapeutic option suitable for the subtypes in an epidemics or pandemic. To increase the options, the development of novel antiviral agents acting on targets different from those of the currently approved drugs is required. In this study. we performed molecular dynamics simulations on a spike protein on the viral envelop, hemagglutinin for the wild type and three kinds of mutants using a model system consisting of a trimeric hemagglutin complex, viral lipid membrane. solvation waters, and ions . A natural product stachyflin, which shows a high level of antiviral activity specific to some subtypes of influenza viruses, was examined on binding to the wild-type hemagglutinin was clarified. Next, 8 compounds were selected from a chemical database by in silico screening, considering the findings from the simulations. Inhibitory activities to suppress the proliferation of influenza virus were measured by cell-based antiviral assays, and chemical scaffolds were found to be potent for an inhibitor. More than 30 derivatives bearing either of these two chemical scaffolds were synthesized, and cell culture assays were carried out of evaluate the compound potency. Several derivatives displayed a high compound potency, and 50% effective concentrations of two synthesized compounds were below 1 mu M
• Practical Electro-Oxidative Sulfonylation of Phenols with Sodium Arenesulfinates Generating Arylsulfonate Esters
  作者：Zhibin Tian、Qihang Gong、Tianzeng Huang、Long Liu、Tieqiao Chen

  DOI：10.1021/acs.joc.1c00260

  日期：2021.11.19

  A practical and sustainable synthesis of arylsulfonate esters has been developed through electro-oxidation. This reaction employed the stable and readily available phenols and sodium arenesulfinates as the starting materials and took place under mild reaction conditions without additional oxidants. A wide range of arylsulfonate esters including those bearing functional groups were produced in good

  已经通过电氧化开发了一种实用且可持续的芳基磺酸酯合成方法。该反应使用稳定且容易获得的苯酚和芳基亚磺酸钠作为起始材料，在温和的反应条件下进行，无需额外的氧化剂。包括那些带有官能团的芳基磺酸酯以良好至极好的产率生产。该反应也可以在不降低反应效率的情况下以克级进行。这些结果很好地证明了该反应在有机合成中的潜在合成价值。