3-Methyl-5-[(2-methylanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carbaldehyde | 144934-86-1

• 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: 3-Methyl-5-[(2-methylanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carbaldehyde
• 英文别名: 2-hydroxy-5-methyl-3-[(2-methylphenyl)iminomethyl]benzaldehyde
• CAS: 144934-86-1
• 化学式: C₁₆H₁₅NO₂
• 分子量: 253.301
• InChiKey: ZTSUOBSMGCLDDL-UHFFFAOYSA-N

物化性质

• 沸点：
  397.1±42.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Methyl-5-[(2-methylanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carbaldehyde 、 copper(II) acetate monohydrate 以 水 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Dinuclear copper(II), nickel(II) and mixed valence CuII-CuI complexes: influence of donor groups on redox behaviour of dicopper complexes

  摘要：

  Dinuclear copper(II) and nickel(II) complexes of hexadentate Schiff base ligands derived from 2,6-diformyl-4-methylphenol, 1,3-diaminopropane with various ortho and/or para substituted anilines have been synthesized and investigated for their magnetic and electrochemical properties. The dinuclear copper(II) complexes exhibit strong antiferromagnetic interactions between the metal centres (mu(eff)/copper atom = 0.98-1.10-mu(B)). For the nickel(II) complexes the interaction is weak (mu(eff)/nickel atom = 2.83-3.02 mu(B)). These complexes undergo sequential one-electron transfers at two different potentials. The first electron-reduction potential (E1) shifts to more negative values for copper(II) complexes having potential donor groups at the ortho position of the phenylazomethine ring. This has been attributed to the weak bonding interaction of these groups with the central metal ion. Analogous mononuclear copper(II) complexes with donor groups such as OMe, OEt and SMe are shown to give irreversible CV peaks. Mixed-valence Cu(II)-Cu(I) complexes of analogous para substituted anilines have been synthesized by chemical methods and the unpaired electron is found to be localized on one of the coppers.

  DOI：

  10.1016/s0277-5387(00)83744-4