bis-{(2,3,4-trimethoxy)benzylidene}-1,4-phenylenediamine | 141334-23-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: bis-{(2,3,4-trimethoxy)benzylidene}-1,4-phenylenediamine
• 英文别名: (E,E)-N,N'-(1,4-Phenylene)bis[1-(2,3,4-trimethoxyphenyl)methanimine]；1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
• CAS: 141334-23-8
• 化学式: C₂₆H₂₈N₂O₆
• 分子量: 464.518
• InChiKey: WJDJLBSZUUJGOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  80.1
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  bis-{(2,3,4-trimethoxy)benzylidene}-1,4-phenylenediamine 、 palladium dichloride 以 溶剂黄146 为溶剂， 以55%的产率得到{1.4-(Pd(2,3,4-(MeO)3C6H2CHN)(Cl))2C6H4}2
  参考文献：
  名称：

  Cyclometallated complexes of bis(N-benzylidene)-1,4-phenylenediamines. Synthesis and crystal structure of [1,4-{](Br)}2C6H4]2: a novel tetranuclear cyclometallated palladium(II) complex

  摘要：

  Treatment of 1,4-{2,3,4-(Meo)3C6H2C(H) = N-}2C6H4 (a) or 1,4-{4,5-(OCH2O)C6H3C(H) = N-}2-C6H4 (b) with palladium(II) acetate gave the cyclometallated acetato-bridged complexes [1,4-{Pd[2,3,4-(MeO)3C6HC(H) = N](O2CMe)}2C6H4]n (1a) and [1,4-Pd[4,5-(OCH2O)C6H2C(H) = N](O2CMe)}2-C6H4]n (1b). These were converted into the analogous halide-bridged complexes by treatment with NaX (2a, 2b X = Cl; 3a, 3b X = Br). Reaction of a or b with PdCl2 also affords the chloro-bridged complexes 2a and 2b, which reacted with LiBr to give the bromo-bridged complexes 3a and 3b. The structure of 3a is described. This is the first example of a structurally characterized tetranuclear cyclometallated bromo-bridged palladium(II) complex. Crystals are triclinic, space group P1BAR, with a 1109.1(4), b 1181.5(4). c 1481.5(5) pm, alpha-77.33(3), beta-80.04(3), gamma-82.50(3)-degrees, U 1.857(1) nm3, Z = 1, R = 0.0558 and R(W) = 0.0610, for 3871 independent reflections with I > 2.0-sigma(I). The structure is a centrosymmetric tetranuclear palladium(II) dimer with symmetrically bridging bromine atoms and non-bonding Pd...Pd distance of 366.2(5) pm.

  DOI：

  10.1016/0022-328x(92)83049-n