N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide | 678192-10-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide
• 英文别名: 4-(dimethylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
• CAS: 678192-10-4
• 化学式: C₁₇H₁₉N₃O₃
• 分子量: 313.356
• InChiKey: XCAHWTMDXANSPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonate)oxovanadium 、 苯甲羟肟酸 、 N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide 在 氧气 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以53%的产率得到
  参考文献：
  名称：

  Synthesis and X-ray crystal structures of N′-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydra zide and its oxovanadium(V) complex with catalytic property

  摘要：

  A new benzohydrazone compound N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide (H2L) and its oxovanadium(V) complex [VOL(BHA)] center dot H2O, where HBHA is benzohydroxamic acid, were prepared and structurally characterized by physic-chemical methods and single crystal X-ray diffraction. The benzohydrazone compound crystallizes in the monoclinic space group C2/c with a = 35.5873(12), b = 10.4628(4), c = 18.6059(6) , beta = 109.499(1)A degrees, V = 6530.4(4) (3), Z = 16, R (1) = 0.0603, and wR (2) = 0.1575. The oxovanadium(V) complex crystallizes in the triclinic space group with a = 7.4775(4), b = 9.7837(5), c = 17.7076(8) , alpha = 99.457(2)A degrees, beta = 98.699(2)A degrees, gamma = 101.429(2)A degrees, V = 1229.7(1) (3), Z = 2, R (1) = 0.0431, and wR (2) = 0.0937. X-ray structural analysis indicates that the benzohydrazone ligand L-2-coordinates to the V atom through the phenolate O, imino N, and enolic O atoms. The V atom in complex I is coordinated by one benzohydrazone ligand and one BHA ligand, as well as one oxo O atom, forming an octahedral coordination. The crystal structures of H2L and I are stabilized by hydrogen bonds. Complex I is an effective catalyst for sulfoxidation.

  DOI：

  10.1134/s1070328413120075
• 作为产物：
  描述：

  2-羟基-5-甲氧基苯甲醛 、 对二甲氨基苯甲酰肼 以 甲醇 为溶剂， 反应 0.5h， 生成 N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide
  参考文献：
  名称：

  Synthesis and X-ray crystal structures of N′-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydra zide and its oxovanadium(V) complex with catalytic property

  摘要：

  A new benzohydrazone compound N'-(2-hydroxy-5-methoxybenzylidene)-4-dimethylaminobenzohydrazide (H2L) and its oxovanadium(V) complex [VOL(BHA)] center dot H2O, where HBHA is benzohydroxamic acid, were prepared and structurally characterized by physic-chemical methods and single crystal X-ray diffraction. The benzohydrazone compound crystallizes in the monoclinic space group C2/c with a = 35.5873(12), b = 10.4628(4), c = 18.6059(6) , beta = 109.499(1)A degrees, V = 6530.4(4) (3), Z = 16, R (1) = 0.0603, and wR (2) = 0.1575. The oxovanadium(V) complex crystallizes in the triclinic space group with a = 7.4775(4), b = 9.7837(5), c = 17.7076(8) , alpha = 99.457(2)A degrees, beta = 98.699(2)A degrees, gamma = 101.429(2)A degrees, V = 1229.7(1) (3), Z = 2, R (1) = 0.0431, and wR (2) = 0.0937. X-ray structural analysis indicates that the benzohydrazone ligand L-2-coordinates to the V atom through the phenolate O, imino N, and enolic O atoms. The V atom in complex I is coordinated by one benzohydrazone ligand and one BHA ligand, as well as one oxo O atom, forming an octahedral coordination. The crystal structures of H2L and I are stabilized by hydrogen bonds. Complex I is an effective catalyst for sulfoxidation.

  DOI：

  10.1134/s1070328413120075