1-Methoxy-4-(nitromethylsulfonyl)benzene | 122263-32-5

• 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: 1-Methoxy-4-(nitromethylsulfonyl)benzene
• CAS: 122263-32-5
• 化学式: C₈H₉NO₅S
• 分子量: 231.229
• InChiKey: BVWGQKNSTWSTNH-UHFFFAOYSA-N

物化性质

• 沸点：
  430.5±45.0 °C(Predicted)
• 密度：
  1.376±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.51
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  氯硝甲烷 、 sodium 4-methoxybenzenesulfinate 以 乙醇 为溶剂， 以75%的产率得到1-Methoxy-4-(nitromethylsulfonyl)benzene
  参考文献：
  名称：

  A Simple Synthesis of Some New Arylsulfonylnitromethanes

  摘要：

  Arylsulfonylnitromethanes were obtained by a nucleophilic substitution reaction. The suggested method of obtaining arylsulfonylnitromethanes has some important advantages over the methods known so far: It is a relatively short, one-stage process; no byproducts are obtained, so there is no need for further procedures to separate the main products from the reaction mixture; and the final compounds possess a good degree of purity. The structure of the new products were confirmed by H-1 NMR, IR, and elemental analysis. The solid state structure of 6 was established by X-ray analysis.

  DOI：

  10.1080/10426500903348005