N-tert-Butyl-(2-oxo-2-phenylethylidene)amine N-oxide | 107255-46-9

• 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: N-tert-Butyl-(2-oxo-2-phenylethylidene)amine N-oxide
• 英文别名: N-tert-butyl-2-oxo-2-phenylethanimine oxide
• CAS: 107255-46-9；140160-44-7
• 化学式: C₁₂H₁₅NO₂
• 分子量: 205.257
• InChiKey: RUBJMHUCEUQLDS-LCYFTJDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-tert-Butyl-(2-oxo-2-phenylethylidene)amine N-oxide 生成 2-[Tert-butyl(hydroxy)amino]-1-phenylethanol
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  N-叔丁基羟胺 、 苯基丙醇水合物 以 甲苯 为溶剂， 以85%的产率得到N-tert-Butyl-(2-oxo-2-phenylethylidene)amine N-oxide
  参考文献：
  名称：

  Aromatic solvent-induced shifts in the 1H-NMR spectra of nitrones

  摘要：

  In the H-1-NMR spectra of model compounds 1-3 in hexadeuteriobenzene the signals of protons at the E-side of the nitrone group are more extensively shifted to higher field by the effect of the aromatic solvent than the signals of protons at the Z-side. Utilizing this effect the existence of usual C,N-dialkylnitrones in the Z-form was confirmed. C-Acylnitrones as 8 and 9, however, exist in both of the isomeric forms, the equilibrium being strongly influenced by the solvent.

  DOI：

  10.1016/s0040-4020(01)88126-6

文献信息

• Tasz, Maciej K.; Plenat, Francoise; Cristau, Henri-Jean, Phosphorus, Sulfur and Silicon and the Related Elements, 1991, vol. 57, # 1/2, p. 143 - 146
  作者：Tasz, Maciej K.、Plenat, Francoise、Cristau, Henri-Jean、Skowronski, Romuald

  DOI：——

  日期：——
• ——
  作者：INGENDOH A.、 LINDEL H.、 BERSCHAUER F.、 JONG A.、 SCHEER M.

  DOI：——

  日期：——
• Aromatic solvent-induced shifts in the 1H-NMR spectra of nitrones
  作者：Hans Günter Aurich、Michael Franzke、Hans Peter Kesselheim

  DOI：10.1016/s0040-4020(01)88126-6

  日期：——

  In the H-1-NMR spectra of model compounds 1-3 in hexadeuteriobenzene the signals of protons at the E-side of the nitrone group are more extensively shifted to higher field by the effect of the aromatic solvent than the signals of protons at the Z-side. Utilizing this effect the existence of usual C,N-dialkylnitrones in the Z-form was confirmed. C-Acylnitrones as 8 and 9, however, exist in both of the isomeric forms, the equilibrium being strongly influenced by the solvent.