3-methoxy-1-methyl 5-oxide-phenazine | 83297-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-methoxy-1-methyl 5-oxide-phenazine
• 英文别名: 3-Methoxy-1-methylphenazin-5-N-oxid；3-methoxy-1-methylphenazine 5-oxide；3-Methoxy-1-methyl-phenazin-(5)-oxid；3-Methoxy-1-methyl-5-oxidophenazin-5-ium；3-methoxy-1-methyl-5-oxidophenazin-5-ium
• CAS: 83297-72-7
• 化学式: C₁₄H₁₂N₂O₂
• 分子量: 240.261
• InChiKey: NFTUFUYNASVCCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methoxy-1-methyl 5-oxide-phenazine 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 3-methoxy-1-methylphenazine
  参考文献：
  名称：

  13C NMR spectra of substituted phenazines: Substituent effects on carbon-13 chemical shifts and the use of13C15N coupling constants for the assignment of the aromatic carbons

  摘要：

  AbstractThe 13C NMR spectra of 19 substituted phenazines have been measured. Substituent increments of the chemical shifts were calculated for methoxy, carbomethoxy and methyl derivatives. 15N‐Enriched phenazines were synthesized and nJ(13C15N) values were used for the assignment of the signals of the aromatic carbons.

  DOI：

  10.1002/omr.1270210211
• 作为产物：
  描述：

  重氮甲烷 、 2-乙酰基苯并呋喃 、 甲基氢醌 生成 3-methoxy-1-methyl 5-oxide-phenazine
  参考文献：
  名称：

  1H NMR spectra of substituted phenazines

  摘要：

  AbstractThe 1H NMR Spectra of 28 substituted phenazines have been measured and analysed with computer assistance. Substituent increments of chemical shifts were calculated for methoxy, carbomethoxy and methyl derivatives. The influence of these substituents on coupling constants has been examined.

  DOI：

  10.1002/mrc.1270190203

文献信息

• Roemer, A.; Sammet, M., Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983, vol. 38, # 7, p. 866 - 872
  作者：Roemer, A.、Sammet, M.

  DOI：——

  日期：——
• 13C NMR spectra of substituted phenazines: Substituent effects on carbon-13 chemical shifts and the use of13C15N coupling constants for the assignment of the aromatic carbons
  作者：Axel Römer

  DOI：10.1002/omr.1270210211

  日期：1983.2

  AbstractThe 13C NMR spectra of 19 substituted phenazines have been measured. Substituent increments of the chemical shifts were calculated for methoxy, carbomethoxy and methyl derivatives. 15N‐Enriched phenazines were synthesized and nJ(13C15N) values were used for the assignment of the signals of the aromatic carbons.
• 1H NMR spectra of substituted phenazines
  作者：Axel Römer

  DOI：10.1002/mrc.1270190203

  日期：1982.6

  AbstractThe 1H NMR Spectra of 28 substituted phenazines have been measured and analysed with computer assistance. Substituent increments of chemical shifts were calculated for methoxy, carbomethoxy and methyl derivatives. The influence of these substituents on coupling constants has been examined.

表征谱图