3-allylsalicylal-2-'ethylamino-5'-nitroaniline | 1450629-78-3

• 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: 3-allylsalicylal-2-'ethylamino-5'-nitroaniline
• CAS: 1450629-78-3
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: HHQMWUBCKGFWMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  24.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  87.76
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 3-allylsalicylal-2-'ethylamino-5'-nitroaniline 在 acetate monohydrate 作用下， 反应 2.0h， 以55%的产率得到[(methanol)-3-allylsalicylal-2'-ethylamino-5-nitroanilinato]copper(II)
  参考文献：
  名称：

  Synthesis, X-ray spectral, and magnetochemical study of copper complexes based on tridentate azomethines of 3-allylsalicylaldehyde

  摘要：

  Tridentate azomethine ligands (H2L) based on 3-allylsalicylaldehyde and o-aminophenol, o-aminothiophenol, or 2-ethylamino-5-nitroaniline were synthesized and identified by IR and H-1 NMR spectroscopies. The structure of complexes (Ia-Ic) was studied by magnetochemistry and EXAFS spectroscopy. Complexes Ia and Ib (X = O, S) are binuclear and exhibit antiferromagnetic exchange interaction: 2J = -36.5 and -950 cm(-1), respectively. Complex Ic (X = NC2H5) is mononuclear (mu(eff) = 1.75 mu(B) at 275 K and does not change as temperature decreases).

  DOI：

  10.1134/s1070328413040039
• 作为产物：
  描述：

  3-烯丙基-2-羟基苯甲醛 、 N1-乙基-4-硝基苯-1,2-二胺 以 甲苯 为溶剂， 以55%的产率得到3-allylsalicylal-2-'ethylamino-5'-nitroaniline
  参考文献：
  名称：

  Synthesis, X-ray spectral, and magnetochemical study of copper complexes based on tridentate azomethines of 3-allylsalicylaldehyde

  摘要：

  Tridentate azomethine ligands (H2L) based on 3-allylsalicylaldehyde and o-aminophenol, o-aminothiophenol, or 2-ethylamino-5-nitroaniline were synthesized and identified by IR and H-1 NMR spectroscopies. The structure of complexes (Ia-Ic) was studied by magnetochemistry and EXAFS spectroscopy. Complexes Ia and Ib (X = O, S) are binuclear and exhibit antiferromagnetic exchange interaction: 2J = -36.5 and -950 cm(-1), respectively. Complex Ic (X = NC2H5) is mononuclear (mu(eff) = 1.75 mu(B) at 275 K and does not change as temperature decreases).

  DOI：

  10.1134/s1070328413040039