N-(1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydropyrazol-4-yl)-P,P-diphenylamidophosphinate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydropyrazol-4-yl)-P,P-diphenylamidophosphinate
• 英文别名: diphenyl-phosphinic acid-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamide)；Diphenyl-phosphinsaeure-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamid)；N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-P,P-diphenylphosphinic amide；4-(diphenylphosphorylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
• 化学式: C₂₃H₂₂N₃O₂P
• mdl: MFCD08142333
• 分子量: 403.42
• InChiKey: RPVQZLOEXXZMMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 N-(1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydropyrazol-4-yl)-P,P-diphenylamidophosphinate 以 氯仿 、 乙腈 为溶剂， 以76%的产率得到[UO2(N-(1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydropyrazol-4-yl)-P,P-diphenylamidophosphinate)(NO3)2]
  参考文献：
  名称：

  N-(1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydropyrazol-4-yl)-P,P-diphenylamidophosphinate and its complexes with neodymium(III), erbium(III), thorium(IV), and uranyl nitrates: Synthesis and crystal and molecular structure

  摘要：

  A new phosphoryl-containing ligand based on 4-aminoantipyrine-N-(1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydropyrazol-4-yl)-P,P-diphenylamidophosphinate (L) was synthesized. In crystals, the L molecules were found to be combined in centrosymmetric dimers through N-HaEuro broken vertical bar O=C hydrogen bonds. The complexes of L with neodymium(III), erbium(III), thorium(IV), and uranyl nitrates were obtained, and their structures were determined. The bands of the C=O and P=O groups in the IR spectra of these complexes are shifted toward low frequencies (by 50-65 and 40-70 cm(-1), respectively), which is indicative of a bidentate coordination of the organophosphorus ligand. According to the X-ray crystallography data, uranyl is bidentately coordinated by both the L molecule (through the C=O and P=O groups) and two nitrate anions.

  DOI：

  10.1134/s003602361104019x