2-氟-5-硝基苯甲酸苯基酯 | 1257535-04-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: 2-氟-5-硝基苯甲酸苯基酯
• 中文别名: 2-氟-5-硝基苯甲酸苯酯
• 英文名称: phenyl 2-fluoro-5-nitrobenzoate
• CAS: 1257535-04-8
• 化学式: C₁₃H₈FNO₄
• 分子量: 261.209
• InChiKey: CNCFGYULISHIJA-UHFFFAOYSA-N

物化性质

• 沸点：
  408.6±35.0 °C(Predicted)
• 密度：
  1.382±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氟-5-硝基苯甲酸苯基酯 在 C₈H₈OSSe 、 正丁胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以22%的产率得到5-nitro-3H-benzo[c][1,2]dithiol-3-one
  参考文献：
  名称：

  酰基烯丙基硫化物作为活性硫物种（硫化氢，多硫化物和烯丙基硫化物）的前体。

  摘要：

  由于过硫化物与硫化氢（H 2 S）和多硫化氢（H 2 S n）的联系，因此受到越来越多的关注。然而，它们的紧密类似物硒烯硫化物（RSeSHs）的文献报道有限，而且它们的反应性和在生物学中的可能作用在很大程度上尚不清楚。在这里，我们设计了一个酰基硒基硫醚模板来研究RSeSH化学。研究了它们对胺/硫醇的稳定性和反应性。这些化合物可在不同条件下产生H 2 S或H 2 S 2，表明RSeSH是可能的中间体。

  DOI：

  10.1021/acs.orglett.9b02021
• 作为产物：
  描述：

  2-氟-5-硝基苯甲酸 、 苯酚 在 4-二甲氨基吡啶 、 1,2-二氯乙烷 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以82%的产率得到2-氟-5-硝基苯甲酸苯基酯
  参考文献：
  名称：

  Rational Design and Bioimaging Applications of Highly Selective Fluorescence Probes for Hydrogen Polysulfides

  摘要：

  Reactive sulfur species have received considerable attention due to their various biological functions. Among these molecules, hydrogen polysulfides (H2Sn, n > 1) are recently suggested to be the actual signaling molecules derived from hydrogen sulfide (H2S). Hydrogen polysulfides may also have their own biosynthetic pathways. The research on H2Sn is rapidly growing. However, the detection of H2Sn is still challenging. In this work we report a H2Sn-mediated benzodithiolone formation under mild conditions. Based on this reaction, specific fluorescent probes for H2Sn are prepared and evaluated. The probe DSP-3 shows good selectivity and sensitivity for H2Sn.

  DOI：

  10.1021/ja502968x

文献信息

• Acyl Selenyl Sulfides as the Precursors for Reactive Sulfur Species (Hydrogen Sulfide, Polysulfide, and Selenyl Sulfide)
  作者：Akil Hamsath、Yingying Wang、Chun-tao Yang、Shi Xu、Danica Cañedo、Wei Chen、Ming Xian

  DOI：10.1021/acs.orglett.9b02021

  日期：2019.7.19

  Persulfides are receiving increased attention due to their links to hydrogen sulfide (H2S) and hydrogen polysulfide (H2Sn). Their close analogues selenyl sulfides (RSeSHs), however, have limited literature precedent, and their reactivity and possible role in biology are largely unknown. Here, we devised an acyl selenyl sulfide template to study RSeSH chemistry. Their stability and reactivity toward amines/thiols

  由于过硫化物与硫化氢（H 2 S）和多硫化氢（H 2 S n）的联系，因此受到越来越多的关注。然而，它们的紧密类似物硒烯硫化物（RSeSHs）的文献报道有限，而且它们的反应性和在生物学中的可能作用在很大程度上尚不清楚。在这里，我们设计了一个酰基硒基硫醚模板来研究RSeSH化学。研究了它们对胺/硫醇的稳定性和反应性。这些化合物可在不同条件下产生H 2 S或H 2 S 2，表明RSeSH是可能的中间体。
• Rational Design and Bioimaging Applications of Highly Selective Fluorescence Probes for Hydrogen Polysulfides
  作者：Chunrong Liu、Wei Chen、Wen Shi、Bo Peng、Yu Zhao、Huimin Ma、Ming Xian

  DOI：10.1021/ja502968x

  日期：2014.5.21

  Reactive sulfur species have received considerable attention due to their various biological functions. Among these molecules, hydrogen polysulfides (H2Sn, n > 1) are recently suggested to be the actual signaling molecules derived from hydrogen sulfide (H2S). Hydrogen polysulfides may also have their own biosynthetic pathways. The research on H2Sn is rapidly growing. However, the detection of H2Sn is still challenging. In this work we report a H2Sn-mediated benzodithiolone formation under mild conditions. Based on this reaction, specific fluorescent probes for H2Sn are prepared and evaluated. The probe DSP-3 shows good selectivity and sensitivity for H2Sn.