N-(4-methylphenyl)-1-[6-[(4-methylphenyl)iminomethyl]pyridazin-3-yl]methanimine | 942588-69-4

• 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-(4-methylphenyl)-1-[6-[(4-methylphenyl)iminomethyl]pyridazin-3-yl]methanimine
• CAS: 942588-69-4
• 化学式: C₂₀H₁₈N₄
• 分子量: 314.39
• InChiKey: GZPUMINJSQSKLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  silver tetrafluoroborate 、 N-(4-methylphenyl)-1-[6-[(4-methylphenyl)iminomethyl]pyridazin-3-yl]methanimine 以 硝基甲烷 为溶剂， 以31%的产率得到
  参考文献：
  名称：

  Factors Influencing Tetranuclear [2 × 2] Grid vs Dinuclear Side-by-Side Structures for Silver(I) Complexes of Pyridazine-Based Bis-Bidentate Ligands

  摘要：

  Silver(I) complexes of five bis-bidentate Schiff-base ligands, derived from 3,6-diformylpyridazine and substituted anilines (2,4-dimethylaniline L-o,L-p-Me; 3,5-dichloroaniline L-m,L-m-Cl; 2-aminobiphenyl Lo-Ph; p-toluidine Lp-Me; 4-aminophenol Lp-OH; p-anisidine Lp-OMe), have been prepared. The ligands have a wide range of steric and electronic properties due to variation in the extent and nature of the substitution of the aniline rings. Four of the resulting complexes were structurally characterized by X-ray crystallography: three of the four, [Ag-2(L-o,L-p-Me)(2)](BF4)(2), [Ag-2(L-m,L-m-Cl)(2)](BF4)(2) and [Ag-2(Lo-Ph)(2)](BF4)(2) formed dinuclear side-by-side complexes, while [Ag-4(Lp-Me)(4)](BF4)(4) gave a tetranuclear [2 x 2] grid. The previously reported tetranuclear [2 x 2] grid [Ag-4(Lp-OMe)(4)](BF4)(4) was recrystallized in the presence of benzene to see if this would alter the architecture of this complex. It did not: the [2 x 2] grid architecture was retained despite the benzene molecules of solvation. Given the flexibility of silver(l) with regard to coordination geometry, the molecular structure of these complexes is influenced mostly by the ligand rather than the metal ion. In each case, the factors which influence the molecular architecture are presented and discussed. Substituent effects on the electrostatics of the intramolecular ligand-ligand pi-pi interactions (XED2.8) account for some of the differences observed in the structures.

  DOI：

  10.1021/ic800959s

文献信息

• Pyridazine-bridged copper(i) complexes of bis-bidentate ligands: tetranuclear [2 ? 2] grid versus dinuclear side-by-side architectures as a function of ligand substituents
  作者：Jason R. Price、Yanhua Lan、Sally Brooker

  DOI：10.1039/b700503b

  日期：——

  and substituted amino-benzenes, have been prepared. A variety of electron donating/withdrawing and/or sterically demanding/undemanding substituents were employed. Two ligands and five of the six pure copper(I) complexes have been structurally characterised. The sterically unhindered ligand derived from 3,5-difluoroaniline, (m,m-F), was almost completely flat whereas the very sterically hindered ligand

  制备了8个由3，6-二甲酰基哒嗪和取代的氨基苯衍生的双齿席夫碱配体。使用了各种给电子/吸电子和/或空间上要求/过大的取代基。在结构上已表征了两个配体和六个纯铜（I）络合物中的五个。衍生自3,5-二氟苯胺（m，mF）的空间不受阻碍的配体几乎完全平坦，而衍生自三甲基苯胺（o，o，p-Me）的非常受阻的配体则严重扭曲。获得的唯一双核并排络合物，[Cu（I）（2）（（o-Ph））（2）]（PF（6））（2），是衍生自2-氨基联苯的配体。其他所有五个复合物都被认为是[2 x 2]四核网格复合物，并且明确地证明了其中四个复合物都是这种情况，[Cu（I）（4）（（p-Me））（4）] [PF（6））（4），[Cu（I）（4）（（o，p-Me））（4）] （PF（6））（4），[Cu（I）（4）（（m，mF））（4）]（PF（6））（4）和[Cu（I）（4）（（m ，m-Cl））（4）]（PF（6））（4