o-C6H4(NH(C6H3Me2-2,6)(CH=NC6H3(i)Pr2-2,6) | 362056-11-9

• 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: o-C6H4(NH(C6H3Me2-2,6)(CH=NC6H3(i)Pr2-2,6)
• 英文别名: 2-[2-(2,6-Dimethylphenylamino)phenylmethyleneamino]-1,3-diisopropylbenzene；N-[2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]-2,6-dimethylaniline
• CAS: 362056-11-9
• 化学式: C₂₇H₃₂N₂
• 分子量: 384.564
• InChiKey: DBWSDISNNMXCRW-UHFFFAOYSA-N

物化性质

• 沸点：
  536.5±50.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙二醇二甲醚溴化镍 、 o-C6H4(NH(C6H3Me2-2,6)(CH=NC6H3(i)Pr2-2,6) 在 n-butyllithium 作用下， 以 甲苯 为溶剂， 以56.9%的产率得到[Ni(2-C6H4(N(C6H3(i)Pr2-2,6)(CH=NC6H3Me2-2,6))Br]2
  参考文献：
  名称：

  Synthesis, Molecular Structure, and Solution-Dependent Behavior of Nickel Complexes Chelating Anilido−Imine Donors and Their Catalytic Activity toward Olefin Polymerization

  摘要：

  A series of novel nickel complexes (1-4) bearing anilido-imine ligands, [((ArN)-N-1=CHC6H4NAr2)NiBr](2) (Ar-1 = Ar-2 = 2,6-dimethylphenyl, 1; Ar-1 = 2,6-dimethylphenyl, Ar-2 = 2,6-diisopropylphenyl, 2; Ar-1 = Ar-2 = 2,6-diisopropylphenyl, 3; Ar-1 = 2,6-diisopropylphenyl, Ar-2 = 2,6-dimethylphenyl, 4), have been synthesized and characterized. The solid-state structures of the complexes 1, 2, and 4 were confirmed by X-ray single-crystal analyses to be in the form of a dinuclear and bromine-bridged structure. However, there is an equilibrium that shifts between the monomer and dimer in solution, which has been monitored using H-1 NMR and UV-vis spectrophotometry. The themodynamic parameters for the equilibriums were calculated to be DeltaH = +13.68 kJ/mol and DeltaS = 40.32 J/(mol K) for 1 and DeltaH = +8.35 kJ/mol and DeltaS = 15.21 J/(mol K) for 3. All nickel complexes show low activities for ethylene oligomerization with MAO as cocatalyst but high catalytic activities for norbornene polymerization in the presence of MAO.

  DOI：

  10.1021/om049367t

文献信息

• Syntheses, Characterization, and Luminescent Properties of Monoethylzinc Complexes with Anilido–Imine Ligands
  作者：Qing Su、Wei Gao、Qiao‐Lin Wu、Ling Ye、Guang‐Hua Li、Ying Mu

  DOI：10.1002/ejic.200700182

  日期：2007.9

  The syntheses of three anilido-imine ligands of the general formula ortho-C 6 H 4 (NHAr')(CH=NAr" [Ar' = 7-(2,4-Me 2 )-C 9 H 4 N, Ar" = 2,6-Me 2 C 6 H 3 (2a); Ar' = 7-(2,4-Me 2 )C 9 H 4 N, Ar"= 2,6-Et 2 C 6 H 3 (2b); Ar' = 7-(2,4-Me 2 )C 9 H 4 N, Ar"= 2,6-iPr 2 C 6 H 3 (2c)] and four zinc(II) complexes of the general formula [orho-C 6 H 4 (NHAr')(CH=NAr")]ZnEt [Ar' = 7-(2,4-Me 2 )C 9 H 4 N, Ar"= 2

  所有化合物均通过元素分析和 1 H 和 13 C NMR 光谱表征。化合物 2a、2b、3b 和 3c 的分子结构由单晶 X 射线晶体学确定。X射线分析表明配合物3b和3c以二聚体形式存在，喹啉环中的N原子与另一个Zn原子配位，使Zn原子四配位。研究了配体2a-2d和配合物3a-3d在溶液和固态中的发光特性。