N-(1,1,1,5,5,5-hexafluoro-4-phenyliminopent-2-en-2-yl)aniline | 888319-26-4

• 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-(1,1,1,5,5,5-hexafluoro-4-phenyliminopent-2-en-2-yl)aniline
• CAS: 888319-26-4
• 化学式: C₁₇H₁₂F₆N₂
• 分子量: 358.286
• InChiKey: QOJWVIZEMFTJLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(1,1,1,5,5,5-hexafluoro-4-phenyliminopent-2-en-2-yl)aniline 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 3.0h， 以87.7%的产率得到
  参考文献：
  名称：

  Manipulating the Excited States of Cyclometalated Iridium Complexes with β-Ketoiminate and β-Diketiminate Ligands

  摘要：

  A series of cyclometalated iridium complexes with beta-ketoiminate and beta-diketiminate ligands are described. Two different cyclometalating (C boolean AND N) ligands2-phenylpridine (ppy) and 2-phenylbenzothiazole (bt)are used in concert with three different ancillary (LX) ligandsa phenyl-substituted beta-ketoiminate (acNac(Me)), a phenyl-substituted beta-diketiminate (NacNac(Me)), and a fluorinated version of the beta-diketiminate (NacNac(CF3))-to furnish a suite of six complexes. The complexes are prepared by metathesis reactions of chloro-bridged dimers [Ir(C boolean AND N)(2)(mu-Cl)](2) with potassium or lithium salts of the ancillary LX ligand. Four of the complexes are characterized by X-ray crystallography, and all six were subjected to in-depth optical and electrochemical interrogation. Cyclic voltammetry shows both reduction and oxidation waves, with the latter strongly dependent on the identity of the LX ligand. The complexes are all luminescent, with the nature of the emissive excited state and the quantum yield (Phi) dependent on the identity of both the C boolean AND N and LX ligands. Whereas the complexes Ir(ppy)(2)(NacNac(Me)) and Ir(ppy)(2)(acNac(Me)) are weakly luminescent (Phi approximate to 0.01), the complexes Ir(bt)(2)(NacNac(Me)) and Ir(bt)(2)(acNac(Me)) are strongly luminescent, with the latters quantum efficiency (Phi = 0.82) among the highest ever observed for cyclometalated iridium complexes. Fluorination of the NacNac ligand gives rise to completely disparate emission behavior suggestive of a NacNac-centered emissive state. The results described here, in comparison with previous groups studies on acetylacetonate (acac) analogues, suggest that the weaker-field NacNac and acNac ligands raise the energy of the metal-centered HOMO, with energy of the HOMO increasing in the order NacNac(CF3) < acNac(Me) < NacNac(Me).

  DOI：

  10.1021/acs.inorgchem.5b01401

文献信息

• Syntheses, structure and ethylene polymerization behavior of β-diiminato titanium complexes
  作者：Li-Ming Tang、Yi-Qun Duan、Xiao-Fang Li、Yue-Sheng Li

  DOI：10.1016/j.jorganchem.2005.12.053

  日期：2006.4

  A series of new titanium complexes bearing beta-diiminato ligands [(Ph)NC(R-1)CHC(R-2)N(Ph)](2)TiCl2 (4a: R-1 = R-2 = CH3; 4b: R-1 = R-2 = CF3; 4c: R-1 = Ph, R-2 = CH3; 4d: R-1 = Ph, R-2 = CF3) has been synthesized and characterized. X-ray crystal structures reveal that complexes 4a and 4c adopt distorted octahedral geometry around the titanium center. With modified methylaluminoxane (MMAO) as a cocatalyst, complexes 4a-d are active catalysts for ethylene polymerization, and produce high molecular weight polyethylenes. Catalyst activities and the molecular weights of polymers are considerably influenced by the steric and electronic effects of substituents on the catalyst backbone under the same polymerization condition. With the strong electron-withdrawing groups (CF3) at R-1 or/and R-2 position, complexes 4b and 4d show higher activities than complexes 4a and 4c, respectively. (c) 2006 Elsevier B.V. All rights reserved.