3-methyl-1-(2-nitrophenyl)-piperidine N-oxide | 78019-91-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-methyl-1-(2-nitrophenyl)-piperidine N-oxide
• 英文别名: 3-Methyl-1-(2-nitrophenyl)-1-oxidopiperidin-1-ium
• CAS: 78019-91-7
• 化学式: C₁₂H₁₆N₂O₃
• 分子量: 236.271
• InChiKey: BYCJSUYWAAPIAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-1-(2-nitrophenyl)-piperidine N-oxide 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 3-methyl-1-(2-nitrophenoxy)-piperidine
  参考文献：
  名称：

  Studies in tertiary amine oxides. Part V—carbon-13 nuclear magnetic resonance spectra of someN-aryl tertiary amines, the correspondingN-oxides and the meisenheimer rearrangement products

  摘要：

  AbstractThe carbon‐13 NMR spectra of some N‐(2‐ or 4‐nitrophenyl) tertiary amines and their corresponding N‐oxides have been analysed. These N‐oxides undergo thermal rearrangement to O‐arylhydroxylamines, for which the 13C NMR spectral assignments were also carried out. The N‐oxidation effect on the aromatic and aliphatic fragments is calculated.

  DOI：

  10.1002/mrc.1270180212
• 作为产物：
  描述：

  3-甲基哌啶 在 甲酸 、 双氧水 作用下， 以 二甲基亚砜 为溶剂， 生成 3-methyl-1-(2-nitrophenyl)-piperidine N-oxide
  参考文献：
  名称：

  Studies in tertiary amine oxides. Part V—carbon-13 nuclear magnetic resonance spectra of someN-aryl tertiary amines, the correspondingN-oxides and the meisenheimer rearrangement products

  摘要：

  AbstractThe carbon‐13 NMR spectra of some N‐(2‐ or 4‐nitrophenyl) tertiary amines and their corresponding N‐oxides have been analysed. These N‐oxides undergo thermal rearrangement to O‐arylhydroxylamines, for which the 13C NMR spectral assignments were also carried out. The N‐oxidation effect on the aromatic and aliphatic fragments is calculated.

  DOI：

  10.1002/mrc.1270180212

文献信息

• Studies of tertiary amine oxides. 4. Thermal rearrangement of N-aryl amine oxides to O-arylhydroxylamines
  作者：Abdul-Hussain Khuthier、Abdul-Khalik S. Al-Kazzaz、Jasim M. A. Al-Rawi、Mohammed A. Al-Iraqi

  DOI：10.1021/jo00331a010

  日期：1981.8
• KHUTHIER, A. -H.;AL-KAZZAZ, A. -K. S.;AL-RAWI, J. M. A.;AL-IRAQI, M. A., J. ORG. CHEM., 1981, 46, N 18, 3634-3638
  作者：KHUTHIER, A. -H.、AL-KAZZAZ, A. -K. S.、AL-RAWI, J. M. A.、AL-IRAQI, M. A.

  DOI：——

  日期：——
• Studies in tertiary amine oxides. Part V—carbon-13 nuclear magnetic resonance spectra of someN-aryl tertiary amines, the correspondingN-oxides and the meisenheimer rearrangement products
  作者：Abdul-Hussain Khuthier、Jasim M. A. Al-Rawi、Abdul K. Al-Kazzaz、Mohammed A. Al-Iraqi

  DOI：10.1002/mrc.1270180212

  日期：1982.2

  AbstractThe carbon‐13 NMR spectra of some N‐(2‐ or 4‐nitrophenyl) tertiary amines and their corresponding N‐oxides have been analysed. These N‐oxides undergo thermal rearrangement to O‐arylhydroxylamines, for which the 13C NMR spectral assignments were also carried out. The N‐oxidation effect on the aromatic and aliphatic fragments is calculated.
• Khuthier, Abdul-Hussain; Al-Mallah, Khawla Y.; Hanna, Salim Y., journal of the chemical society-perkin transactions 2, 1986, p. 413 - 418
  作者：Khuthier, Abdul-Hussain、Al-Mallah, Khawla Y.、Hanna, Salim Y.

  DOI：——

  日期：——