H2BDPPU | 863602-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: H2BDPPU
• CAS: 863602-85-1
• 化学式: C₃₉H₃₆N₆O₃
• 分子量: 636.753
• InChiKey: NTGLOTAQAAIYLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  48.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  117.89
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ammonium iron(II) sulfate hexahydrate 、 H2BDPPU 以 乙醇 、 水 为溶剂， 以72%的产率得到iron(II)(BDPPU)(H2O)2
  参考文献：
  名称：

  Oxovanadium(IV), Cr(III), Fe(III), Fe(II), Ni(II), Cu(II), Zn(II), and UO2(VI) Chelates from Onno Donor Schiff Base Ligand

  摘要：

  Oxovanadium(IV), Cr(III), Fe( III), Fe(II), Ni( II), Cu( II), Zn(II) and UO2(VI) chelates of an ONNO donor Schiff base ligand derived from 4-butyryl-1,3-diphenyl-2-pyrozolin-5-one and urea were prepared and characterized by elemental analyses, thermogravimatric analyses (TGA), conductivity, magnetic susceptibility, infrared and electronic spectral measurements. The molar conductivities of the chelates show that they are non-electrolytes, except the Cr( III) and Fe( III) chelates, which are 1: 1 electrolytes. The ONNO donor set of the ligand is inferred from its infrared and NMR spectral studies. The magnetic moments and electronic spectral data suggest a distorted tetragonal geometry for the Cu( II) chelate and an octahedral geometry for the rest of the chelates.

  DOI：

  10.1081/sim-200035669