N,N-bis(4'-butyrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-m-phenylenediamine | 385827-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: N,N-bis(4'-butyrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-m-phenylenediamine
• CAS: 385827-18-9
• 化学式: C₃₄H₃₆N₆O₂
• 分子量: 560.699
• InChiKey: PJLJBQAWPJUCSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  90.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  hexaammonium heptamolybdate tetrahydrate 、 盐酸羟胺 、 N,N-bis(4'-butyrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-m-phenylenediamine 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以45%的产率得到dinitrosylbis(N,N-bis(4'-butyrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-m-phenylenediamine(2-))molybdenum(0) monohydrate
  参考文献：
  名称：

  DINITROSYLMOLYBDENUM(0) COMPLEXES OF CATALYTIC AND ENVIRONMENTAL RELEVANCE: A NOVEL SINGLE-STEP SYNTHESIS OF DINITROSYLMOLYBDENUM(0) COMPLEXES OF {Mo(NO)₂}⁶ELECTRON CONFIGURATION INVOLVING CHELATING LIGANDS DIRECTLY FROM MOLYBDATE(VI) AND THEIR CHARACTERIZATION

  摘要：

  This paper reports the synthesis of a new series of novel hexa-oordinated, mixed-ligand dinitrosyl complexes of molybdenum(0) of the compositions [Mo(NO)(2)(L')(2)].H2O {where HL' = 4-butyryl-3-methyl-1-phenyl-2-pyrazoline-5- one (HL1) N-(4'-butyrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-o-phenitidine (HL2) or N(4'-buryrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-p-anisidine (HL3)}, [Mo(NO)(2)(L-4)].H2O {where H2L5=N,N-(4'-buryrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-m-phenylenediamine) in a single step directly from molybdate(VI). The resulting chelates, which have been characterized by elemental analyses, molar conductance, decomposition temperature, magnetic measurements, H-1 NMR, IR, and electronic spectral studies, and were found to contain low-spin Mo(0).

  DOI：

  10.1081/sim-120003206
• 作为产物：
  描述：

  间苯二胺 、 4-丁酰基-5-甲基-2-苯基-2,4-二氢-3H-吡唑-3-酮 以 乙醇 为溶剂， 以45%的产率得到N,N-bis(4'-butyrylidene-3'-methyl-1'-phenyl-2'-pyrazolin-5'-one)-m-phenylenediamine
  参考文献：
  名称：

  Maurya; Shukla; Pandey, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2002, vol. 41, # 3, p. 554 - 559

  摘要：

  DOI：