(4-methyl-benzyl)-(4-nitro-benzylidene)-amine | 25105-57-1

• 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: (4-methyl-benzyl)-(4-nitro-benzylidene)-amine
• 英文别名: N-[(4-methylphenyl)methyl]-1-(4-nitrophenyl)methanimine
• CAS: 25105-57-1
• 化学式: C₁₅H₁₄N₂O₂
• 分子量: 254.288
• InChiKey: XWWASNKWTRIXCD-UHFFFAOYSA-N

物化性质

• 沸点：
  404.1±38.0 °C(predicted)
• 密度：
  1.12±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-methyl-benzyl)-(4-nitro-benzylidene)-amine 在 间氯过氧苯甲酸 作用下， 生成 2-(4-methyl-benzyl)-3-(4-nitro-phenyl)-oxaziridine
  参考文献：
  名称：

  Mechanism of oxidation of Schiff bases to oxaziranes by peroxy acids in various solvents

  摘要：

  DOI：

  10.1021/ja01050a025
• 作为产物：
  描述：

  对硝基苯甲醛 、 4-甲基苄胺 在 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以97%的产率得到(4-methyl-benzyl)-(4-nitro-benzylidene)-amine
  参考文献：
  名称：

  1D and 2D Nuclear magnetic resonance of new silver(I) complexes with achiral and chiral bases as ligands: Crystal structure of [Ag{(S)-(6-CH3)C5H3N-CHN-C*H(α-CH3)C6H5}(PPh3)2](O3SCF3)

  摘要：

  Treatment of equimolar amounts of substituted aniline or amine with substituted benzaldehyde leads to the corresponding achiral or chiral Schiff bases (L). The reaction of the bases with [Ag(O3SCF3)(PPh3)] leads to the preparation of three or four coordinated cationic complexes, [Ag(k(1)-L)(PPh3)(n)](+) (n = 1 or 2) which have been characterized by IR, D-1 and D-2 NMR spectroscopy. The crystal structure of [Ag{(S)-(6-CH3)C5H3N-CHN-C*H(alpha-CH3)C6H5}(PPh3)(2)](O3SCF3) is reported. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.09.033

文献信息

• Mechanism of oxidation of Schiff bases to oxaziranes by peroxy acids in various solvents
  作者：Vershal Madan、Leallyn B. Clapp

  DOI：10.1021/ja01050a025

  日期：1969.10
• 1D and 2D Nuclear magnetic resonance of new silver(I) complexes with achiral and chiral bases as ligands: Crystal structure of [Ag{(S)-(6-CH3)C5H3N-CHN-C*H(α-CH3)C6H5}(PPh3)2](O3SCF3)
  作者：Olga Cifuentes、Raúl Contreras、Antonio Laguna、Olga Crespo

  DOI：10.1016/j.ica.2011.09.033

  日期：2011.12

  Treatment of equimolar amounts of substituted aniline or amine with substituted benzaldehyde leads to the corresponding achiral or chiral Schiff bases (L). The reaction of the bases with [Ag(O3SCF3)(PPh3)] leads to the preparation of three or four coordinated cationic complexes, [Ag(k(1)-L)(PPh3)(n)](+) (n = 1 or 2) which have been characterized by IR, D-1 and D-2 NMR spectroscopy. The crystal structure of [Ag(S)-(6-CH3)C5H3N-CHN-C*H(alpha-CH3)C6H5}(PPh3)(2)](O3SCF3) is reported. (C) 2011 Elsevier B.V. All rights reserved.