N-(1-(2H-indazol-2-yl)ethylidene)-2,6-diisopropylaniline | 1162654-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-(1-(2H-indazol-2-yl)ethylidene)-2,6-diisopropylaniline
• 英文别名: N-(1-(indazol-1-yl)ethylidene)-2,6-diisopropylamine；N-(1-(indazol-2-yl)ethylidene)-2,6-diisopropylaniline；N-[2,6-di(propan-2-yl)phenyl]-1-indazol-2-ylethanimine
• CAS: 1162654-39-8
• 化学式: C₂₁H₂₅N₃
• 分子量: 319.45
• InChiKey: JZJQZPYQZUXSEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲氧基-2-(2-甲氧基乙氧基)乙烷-二溴镍(1:1) 、 N-(1-(2H-indazol-2-yl)ethylidene)-2,6-diisopropylaniline 以 二氯甲烷 为溶剂， 以80%的产率得到[Ni2Br2(μ-Br)2(N(-1-(indazol-1-yl)ethylidene-2,6-diisopropylaniline-N,N)2]
  参考文献：
  名称：

  Mono and bimetallic nickel bromide complexes bearing azolate-imine ligands: Synthesis, structural characterization and ethylene polymerization studies

  摘要：

  The synthesis of N-(1-(3,5-dimethylpyrazol-1-yl)ethylidene)-2,6-diisopropylaniline (1) and N-(1-(indazol-2-yl)ethylidene)-2,6-diisopropylaniline (2) allowed access to new transition metal complexes. When reacted with dibromo(2,2'-dimethoxyethylether) nickel(II) the complexes [NiBr2{N-(1-(3,5-dimethylpyrazol-1-yl) ethylidene)-2,6-diisopropylaniline}] (3) and [Ni2Br2(mu-Br)2{N-(1-(indazol-1-yl)ethylidene)-2,6-diisopropylaniline} 2] (4) are yielded, respectively. The addition of MAO generates catalytically active species for the homopolymerization of ethylene. The polymer products were low molecular weight (3-6 K) and a monomodal molecular weight distribution, consistent with the presence of a single active site. In addition, the catalyst was found to efficiently oligomerize higher olefins to high molecular weights with narrow PDIs. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.01.005
• 作为产物：
  描述：

  吲唑 、 N-(2,6-diisopropylphenyl)acetimidoyl chloride 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 21.0h， 以64.3%的产率得到N-(1-(2H-indazol-2-yl)ethylidene)-2,6-diisopropylaniline
  参考文献：
  名称：

  Mono and bimetallic nickel bromide complexes bearing azolate-imine ligands: Synthesis, structural characterization and ethylene polymerization studies

  摘要：

  The synthesis of N-(1-(3,5-dimethylpyrazol-1-yl)ethylidene)-2,6-diisopropylaniline (1) and N-(1-(indazol-2-yl)ethylidene)-2,6-diisopropylaniline (2) allowed access to new transition metal complexes. When reacted with dibromo(2,2'-dimethoxyethylether) nickel(II) the complexes [NiBr2{N-(1-(3,5-dimethylpyrazol-1-yl) ethylidene)-2,6-diisopropylaniline}] (3) and [Ni2Br2(mu-Br)2{N-(1-(indazol-1-yl)ethylidene)-2,6-diisopropylaniline} 2] (4) are yielded, respectively. The addition of MAO generates catalytically active species for the homopolymerization of ethylene. The polymer products were low molecular weight (3-6 K) and a monomodal molecular weight distribution, consistent with the presence of a single active site. In addition, the catalyst was found to efficiently oligomerize higher olefins to high molecular weights with narrow PDIs. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.01.005

文献信息

• Synthesis of new phosphorescent imidoyl-indazol and phosphine mixed ligand Cu(<scp>i</scp>) complexes – structural characterization and photophysical properties
  作者：Alan R. Cabrera、Ivan A. Gonzalez、Diego Cortés-Arriagada、Mirco Natali、Heinz Berke、Constantin G. Daniliuc、María B. Camarada、Alejandro Toro-Labbé、Rene S. Rojas、Cristian O. Salas

  DOI：10.1039/c5ra20450j

  日期：——

  absorption spectroscopy of complexes 2–4 in CH2Cl2 solution confirms a strong contribution from a ligand-centered (LC) triplet excited state, pointing towards a mixed 3MLCT/3LC character of the transient species in solution at room temperature, undergoing a non-radiative deactivation in the μs time-scale. This behavior markedly differs from that observed for complex 1, whose short-lived 3MLCT excited state

  制备了四种单核Cu（I）配合物，描述为[Cu（N，N）2 ] PF 6（1）和[Cu（N，N）（P，P）] PF 6（2–4），其中N，N为N-（1-（2 - H-吲唑-2-基）亚乙基）-2,6-二异丙基苯胺，P，P为膦衍生的辅助配体（双[2-（二苯基膦基）苯基]醚（POP），双（二苯基膦基）乙烷（dppe）或2 PPh 3）。这些新物种的特征在于NMR，FT-IR，元素分析，循环伏安法，UV-Vis发射光谱，瞬态吸收光谱和DFT计算。另外，配合物1和2通过X射线衍射表征。四种配合物在400 K和450 nm之间均显示MLCT吸收带，此外在77：K的4：1乙醇：甲醇玻璃状基质中具有弱结构的磷光。配合物2-4具有类似于质子化N的磷光的发射曲线。，N配体，表明在77 K处处于最低激发态的三重态LC特性。相比之下，混合的MLCT / LC三重态发射极有可能是复合物1的磷光的原因。在室温下，在固态