3-fluoro-1-methyl-9-nitro-7-(trifluoromethyl)-10H-phenothiazine | 711011-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-fluoro-1-methyl-9-nitro-7-(trifluoromethyl)-10H-phenothiazine
• CAS: 711011-69-7
• 化学式: C₁₄H₈F₄N₂O₂S
• 分子量: 344.289
• InChiKey: WGVWAJMAPWAOEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  114 °C
• 沸点：
  408.1±45.0 °C(Predicted)
• 密度：
  1.513±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55.17
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-fluoro-1-methyl-9-nitro-7-(trifluoromethyl)-10H-phenothiazine 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 以86%的产率得到3-Fluoro-1-methyl-9-nitro-7-trifluoromethyl-10H-phenothiazine 5,5-dioxide
  参考文献：
  名称：

  Synthesis of 4H-1,4-Benzothiazine-1,1-dioxides (Sulfones) and Phenothiazine-5,5-dioxides (Sulfones)

  摘要：

  The study of the oxidation behavior of 4H-1,4-benzothiazines and phenothiazines by 30% hydrogen peroxide in acetic acid results in the formation of 4H-1,4-benzothiazine-1,1-dioxides (sulfones) and 10H-phenothiazine-5,5-dioxides (sulfones) respectively. The purity of all the synthesized compounds has been checked by thin layer chromatography using silica "G" as an adsorbent in various nonaqueous solvent systems. Infra-red and proton-magnetic resonance spectral studies are also included.

  DOI：

  10.1080/104265090917790
• 作为产物：
  描述：

  4-氯-3,5-二硝基三氟甲苯 、 2-氨基-5-氟-3-甲基苯硫醇 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以79%的产率得到3-fluoro-1-methyl-9-nitro-7-(trifluoromethyl)-10H-phenothiazine
  参考文献：
  名称：

  Synthesis of 7-ethoxy- and 7-fluoro-phenothiazines

  摘要：

  Synthesis of 7-ethoxy- and 7-fluoro-phenothiazines is reported by Smiles rearrangement of 5-ethoxy- and 5-fluoro-2-formamido-2'nitrodiphenylsulfides. The later were obtained by the formylation of 2-amino-5-ethoxy/5-fluoro-2'-nitrodiphenylsulfides which were prepared by the condensation of 2-amino-5-ethoxyl-5-fluoro-benzenethiols with o-halonitrobenzenes.

  DOI：

  10.1080/714040982