[N'-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide | 1403612-03-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [N'-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide
• 英文别名: N'-[1-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide；N-[1-(2-hydroxynaphthalen-1-yl)ethylideneamino]-4-nitrobenzamide
• CAS: 1403612-03-2
• 化学式: C₁₉H₁₅N₃O₄
• 分子量: 349.346
• InChiKey: XBAIULNNHCYGSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 bis(acetylacetonate)oxovanadium 、 [N'-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide 以 甲醇 为溶剂， 以72%的产率得到[oxovanadium(V)(μ-OMe)(N'-[1-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide(-2H))]2
  参考文献：
  名称：

  Syntheses and crystal structures of oxovanadium(V) complexes derived from N′-[1-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide and 2-hydroxy-N′-[1-(2-hydroxynaphthyl)ethylidene]benzohydrazide

  摘要：

  Reactions of bis(acetylacetonato)oxovanadium(IV) with N'-[1-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide (H2HNB) and 2-hydroxy-N'-[1-(2-hydroxynaphthyl)ethylidene]benzohydrazide (H2HHB), respectively, product two oxovanadium(V) species with the formulas [VO(OMe)(HNB)](2) (I) and [VO(OMe)(HHB)] (II). The complexes I and II have been characterized by elemental analysis, IR spectra, and single crystal X-ray diffraction. The crystal of I is monoclinic: space group P2(1)/n, a = 8.208(2), b = 14.528(3), c = 16.418(3) , beta = 97.887(3)A degrees, V = 1939.3(7) (3), Z = 2. The crystal of II is triclinic: space group P a = 8.334(2), b = 10.236(2), c = 11.337(2) , alpha = 80.91(3)A degrees, beta = 75.41(3)A degrees, I" = 75.63(3)A degrees, V = 902.0(3) (3), Z = 2. Complex I is a methoxide-bridged dimeric oxovanadium(V) complex, and complex II is a mononuclear oxovanadium(V) complex. The V atom in I is in an octahedral coordination, and that in II is in a square pyramidal coordination.

  DOI：

  10.1134/s1070328412070111
• 作为产物：
  描述：

  1-乙酰基-2-萘酚 、 4-硝基苯酰肼 以 甲醇 为溶剂， 以90%的产率得到[N'-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide
  参考文献：
  名称：

  New Vanadium Complexes with Aroylhydrazone Ligands: Synthesis, Structures, and Biochemical Properties

  摘要：

  The aroylhydrazone Schiff base ligands [N'-(2-hydroxynaphthyl)ethylidene]-4-nitrobenzohydrazide (H2La) and N'-(3,5-dichloro-2-hydroxybenzylidene)- 3-nitrobenzohydrazide (H2Lb) reacting with VO(acac)(2) in methanol gave the complexes [VOLa(OMe)]center dot 0.5MeOH center dot 0.6H(2)O (1) and [VOLb(OMe)(MeOH)] (2). Both complexes were characterized by elemental analyses and IR spectroscopic method in the solid state. Single crystal X-ray analysis was performed, which indicates that both complexes are mononuclear. The V atom in (1) is in a square pyramidal geometry, and that in (2) is in an octahedral geometry. V-IV in VO(acac) 2 was oxidized to V-V in the complexes by aerial oxygen during the synthesis and crystallization. Antibacterial activities of the aroylhydrazone ligands and the complexes have been studied on the strains Bacillus subtilis, Escherichia coli, and Staphylococcus aureus.

  DOI：

  10.1080/15533174.2013.819898