ortho-C6H4NH(C6H3iPr2-2,6)(CH=NC6H4Me2-2,6) | 823196-32-3

• 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: ortho-C6H4NH(C6H3iPr2-2,6)(CH=NC6H4Me2-2,6)
• 英文别名: o-C6H4(NH(C6H3(i)Pr2-2,6)(CH=NC6H3Me2-2,6)；N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
• CAS: 823196-32-3
• 化学式: C₂₇H₃₂N₂
• 分子量: 384.564
• InChiKey: BOTZCLXZXNGURR-UHFFFAOYSA-N

物化性质

• 沸点：
  478.3±45.0 °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：

  三氯化铝 、 ortho-C6H4NH(C6H3iPr2-2,6)(CH=NC6H4Me2-2,6) 在 n-butyllithium 作用下， 以 正己烷 、 甲苯 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  螯合氨基-亚胺配体铝配合物的合成、结构和发光性能

  摘要：

  多种四配位铝配合物邻位C6H4(NAr')(CH=NAr'')AlCl2[Ar'=Ar''=2,6-iPr2C6H3(2a)的合成；Ar' = 2,6-iPr2C6H3，Ar'' = 2,6-Me2C6H3 (2b)；Ar' = Ar'' = 2,6-Me2C6H3 (2c)；描述了 Ar' = p-MeC6H4，Ar'' = 2,6-iPr2C6H3 (2d)]。配合物 2a-2d 是由 AlCl3 与相应配体的锂盐在室温下反应合成的。所有配合物均通过 1 H 和 13 C NMR 光谱表征，配合物 2a、2b 和 2d 的分子结构由 X 射线晶体学确定。研究了复合物 2a-2d 在溶液和固态中的发光特性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200500740
• 作为产物：
  描述：

  (E)-N-(2,6-二甲基苯基)-1-(2-氟苯基)甲亚胺 、 lithium (2,6-diisopropylphenyl)amide 以 四氢呋喃 为溶剂， 生成 ortho-C6H4NH(C6H3iPr2-2,6)(CH=NC6H4Me2-2,6)
  参考文献：
  名称：

  具有螯合苯胺-亚胺配体的铬 (III) 配合物：乙烯聚合的合成、结构和催化性能

  摘要：

  一系列带有苯胺-亚胺配体的新型铬配合物，[(邻位-C 6 H 4 (NAr')(CH=NAr")}CrCl 2 (thf) 2 ] [Ar' = Ar" = C 6 H 5 (1); Ar' = Ar" = p-MeC 6 H 4 (2); Ar' = Ar" = 2,6-Me 2 C 6 H 3 (3); Ar' = 2,6-iPr 2 C 6 H 3 , Ar" = 2,6-Me 2 C 6 H 3 (4); Ar' = Ar" = 2,6-iPr 2 C 6 H 3 (5)]，已合成并通过元素分析表征, IR 光谱和 ESI-MS. 单晶 X 射线衍射分析证实了配合物 1 和 2 的分子结构。当用甲基铝氧烷 (MAO) 活化时，这些配合物对乙烯聚合和生产中等分子量的聚乙烯。

  DOI：

  10.1002/ejic.201000150

文献信息

• Boron Complexes with Chelating Anilido‐Imine Ligands: Synthesis, Structures and Luminescent Properties
  作者：Yi Ren、Xiaoming Liu、Wei Gao、Hong Xia、Ling Ye、Ying Mu

  DOI：10.1002/ejic.200600841

  日期：2007.5

  Three new boron complexes with anilido-imine ligands, ortho-C6H4(NAr1)(CH=NAr2)BF2 [Ar1 = 2,6-Et2C6H3, Ar2 = p-MeC6H4 (3a); Ar1 = 2,6-iPr2C6H3, Ar2 = p-MeC6H4 (3b); Ar1 = 2,6-iPr2C6H3, Ar2 = 2,6-Me2C6H3 (3c)] were synthesized by the reaction of BF3(OEt2) with the lithium salt of the corresponding ligands. All complexes were characterized by 1H, 11B, 13C and 19F NMR spectroscopy, elemental analyses

  三种具有苯胺基-亚胺配体的新型硼配合物，邻位-C6H4(NAr1)(CH=NAr2)BF2 [Ar1 = 2,6-Et2C6H3, Ar2 = p-Me (3a); Ar1 = 2,6-iPr2C6H3，Ar2 = p-Me (3b)；Ar1 = 2,6-iPr2C6H3, Ar2 = 2,6-Me2C6H3 (3c)] 通过 BF3(OEt2) 与相应配体的锂盐反应合成。所有配合物均通过 1H、11B、13C 和 19F NMR 光谱、元素分析和质谱进行表征。配合物 3a-3c 的分子结构由 X 射线晶体学确定。3a-3c 的 DSC 分析表明它们具有良好的热稳定性。研究了配体和配合物 3a-3c 在溶液和固态中的发光特性。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• Synthesis, molecular structure and norbornene polymerization behavior of three-coordinate nickel(i) complexes with chelating anilido-imine ligands
  作者：Hai-Yu Wang、Xia Meng、Guo-Xin Jin

  DOI：10.1039/b516203c

  日期：——

  with trans-chloro(phenyl)bis(triphenylphosphane)nickel(II) results in the formation of two rare three-coordinate nickel(I) complexes [(Ar1N=CHC6H4NAr2)Ni(I)PPh3] (1: Ar1 = Ar2 = 2,6-i-Pr2C6H3; 2: Ar1 = 2,6-Me2C6H3, Ar2 = 2,6-i-Pr2C6H3). The molecular structures of complexes 1 and 2 have been confirmed by single crystal X-ray analyses. These two complexes exhibit paramagnetic properties as measured by

  氮供体原子上带有大取代基的苯胺基亚胺配体的锂盐与反式氯（苯基）双（三苯基膦）镍（II）的反应导致形成两种罕见的三配位镍（I）络合物[（Ar1N ＝ CHC6H4NAr2）Ni（I）PPh3]（1：Ar1 ＝ Ar2 ＝ 2，6-i-Pr2C6H3； 2：Ar1 ＝ 2，6-Me2C6H3，Ar2 ＝ 2，6-i-Pr2C6H3）。配合物1和2的分子结构已通过单晶X射线分析得到证实。这两种配合物通过EPR和1H NMR光谱显示出顺磁性。在用甲基铝氧烷（MAO）活化后，这些络合物可以聚合降冰片烯，以提供高分子量M（w）（10（6）g mol（-1））的加成型聚降冰片烯（PNB），催化活性高，最高2.82 x 10（7）g（PNB）mol（-1）（Ni）h（-1）。
• Synthesis, Molecular Structure, and Solution-Dependent Behavior of Nickel Complexes Chelating Anilido−Imine Donors and Their Catalytic Activity toward Olefin Polymerization
  作者：Haiyang Gao、Wenjuan Guo、Feng Bao、Guoqiu Gui、Junkai Zhang、Fangming Zhu、Qing Wu

  DOI：10.1021/om049367t

  日期：2004.12.1

  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.