N-[2-(heptyliminomethyl)phenyl]-4-methylbenzenesulfonamide | 1236231-21-2

• 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-[2-(heptyliminomethyl)phenyl]-4-methylbenzenesulfonamide
• CAS: 1236231-21-2
• 化学式: C₂₁H₂₈N₂O₂S
• 分子量: 372.532
• InChiKey: APGDDCQVLXDCPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.19
• 重原子数：
  26.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-[2-(heptyliminomethyl)phenyl]-4-methylbenzenesulfonamide 、 lead acetate 以 乙醇 为溶剂， 生成 (S)-3,3'-diheptyl-1,1'-ditosyl-1H,1'H-2,2'-spirobi[benzo[d][1,3,2]diazaplumbine]-3,3'-diium
  参考文献：
  名称：

  Electrochemical and chemical synthesis of new luminescent schiff base complexes

  摘要：

  Bis-chelate complexes of zinc, cadmium, lead, and mercury with o-N-tosylbenzylidene imines containing the C7H15 and C18H37 substituents at the C=N group nitrogen atom were prepared by the methods of electrochemical and chemical syntheses. The structure of the azomethines and their complexes was established by the methods of heteronuclear H-1, C-13 NMR spectroscopy (multidimensional and multinuclear COSY, HETCOR and HETCOR_LONG techniques). The complexes, as demonstrated by the X-ray analysis for the zinc chelate, have strongly distorted octahedral structure formed by the four azomethine nitrogen atoms and two oxygen atoms of the tosyl fragments. The coordination compounds show fluorescence in the blue part of the spectrum in high quantum yields for the zinc chelates.

  DOI：

  10.1134/s1070363210020180
• 作为产物：
  描述：

  N-(2-甲酰基苯基)-4-甲基苯磺酰胺 、 庚胺 以 乙醇 为溶剂， 反应 2.0h， 生成 N-[2-(heptyliminomethyl)phenyl]-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Electrochemical and chemical synthesis of new luminescent schiff base complexes

  摘要：

  Bis-chelate complexes of zinc, cadmium, lead, and mercury with o-N-tosylbenzylidene imines containing the C7H15 and C18H37 substituents at the C=N group nitrogen atom were prepared by the methods of electrochemical and chemical syntheses. The structure of the azomethines and their complexes was established by the methods of heteronuclear H-1, C-13 NMR spectroscopy (multidimensional and multinuclear COSY, HETCOR and HETCOR_LONG techniques). The complexes, as demonstrated by the X-ray analysis for the zinc chelate, have strongly distorted octahedral structure formed by the four azomethine nitrogen atoms and two oxygen atoms of the tosyl fragments. The coordination compounds show fluorescence in the blue part of the spectrum in high quantum yields for the zinc chelates.

  DOI：

  10.1134/s1070363210020180