N,N'-bis(2-formyl-4-methylphenyl)diaza-18-crown-6 | 1228437-00-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis(2-formyl-4-methylphenyl)diaza-18-crown-6
• CAS: 1228437-00-0
• 化学式: C₂₈H₃₈N₂O₆
• 分子量: 498.62
• InChiKey: KVTASLNRYRDTDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  77.54
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  lead(II) perchlorate 、 N,N'-bis(2-formyl-4-methylphenyl)diaza-18-crown-6 、 水 以 氯仿 、 丙酮 为溶剂， 生成 N,N'-bis(2-formyl-4-methylphenyl)diaza-18-crown-6
  参考文献：
  名称：

  N,N′-bis(ortho-acylaryl)diaza-18-crown-6 ethers: Synthesis, complexation in solution, and crystal structure of the complex with lead perchlorate

  摘要：

  Two new lariat ethers were obtained from N,N'-diaryldiaza-18-crown-6 (Ar = 2-formyl-4-methylphenyl (II) and 2-benzoyl-4-methylphenyl (III)). In the ethers obtained, the carbonyl O atoms act as additional electron-donating sites. Complexation of lariat ethers II and III with metal cations in solution was studied by H-1 NMR spectroscopy (acetone-d(6), methanol-d(4)). The stability constants of the resulting complexes were determined. For lariat ether III and its complexes, the magnetic anisotropy of the benzoyl groups substantially influences the chemical shifts of the protons of the macrocycle. The stability of the complexes increases from ether II to III and in the order K+ < Ba2+ < Pb2+. Complexes with La3+ were not obtained. The complex of lariat ether II(L) with Pb(ClO4)(2), [PbL(H2O)](ClO4)(2) center dot H2O, was characterized by X-ray diffraction. The Pb2+ cation is in the cavity of the lariat ether and is coordinated by the formyl O atoms on one side of the macrocycle plane and by the water molecule on the other side (C.N. 9).

  DOI：

  10.1134/s1070328409110086