4-((p-(trifluoromethyl)phenyl)amino)-2-((p-(trifluoromethyl)phenyl)imino)pent-3-ene | 203628-50-6

• 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: 4-((p-(trifluoromethyl)phenyl)amino)-2-((p-(trifluoromethyl)phenyl)imino)pent-3-ene
• 英文别名: 2-(4-trifluoromethylphenyl)amino-4-(4-trifluoromethylphenyl)imino-2-petene
• CAS: 203628-50-6
• 化学式: C₁₉H₁₆F₆N₂
• 分子量: 386.34
• InChiKey: IXGGKRNRWADWFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-((p-(trifluoromethyl)phenyl)amino)-2-((p-(trifluoromethyl)phenyl)imino)pent-3-ene 以 二氯甲烷 、 甲苯 为溶剂， 生成 (p-CF3C6H4NC(Me)CHC(Me)NC6H4-p-CF3)ZrCl3*NHMe2
  参考文献：
  名称：

  Synthesis and Structure of Acyclic Bis(ketenimine) Complexes of Zirconium

  摘要：

  Mono- and disubstituted bis(ketenimine) complexes of zirconium (1 and 2, respectively) can be readily prepared by reaction of these ligands (3) with Zr(NMe)(4) or, in some cases, the homoleptic tetrabenzyl derivative ZrBn4. Treatment of 1 (Ar = Ph, p-CF3Ph; X = NMe2) with Me2NH . HCl and of 2(Ar = Ph, X = NMe2) with either Me2NH . HCl or TMSCl provides the corresponding chloro derivatives in high yield. Alkyl derivatives of 2 (X = Me, Bn) can be readily prepared by reaction of the corresponding chloro derivatives with Grignard or organolithium reagents. Monocyclopentadienyl bis(ketenimine) complexes 4 (Ar Ph, p-CF3Ph; Cp = eta(5)-C5H5, eta(5)-C9H7; X = Cl) were prepared from 1 (Ar = Ph, p-CF3Ph; X = Cl) by reaction with CpLi or IndLi in high yield, and methyl derivatives 4 (Ar = Ph, p-CF,Ph; Cp = eta(5)-C5H5, eta(5)-C9H7; X = Me) were accessible by treatment of the chloro precursors with methyllithium. The X-ray structure of 2(Ar = Ph; X = NMe2) reveals a distorted-octahedral geometry in which the bis(ketenimine) ligands are sigma-bound to the metal and the dimethyl-amido groups are cis to one another, and the corresponding dichloro derivative also adopts a similar structure in the solid state, whereas the bis(ketenimine) ligands adopt a distorted, eta(5) binding mode in the monoindenyl derivative 4 (Ar = Ph; Cp = eta(5)-C9H7' X = Cl). Enantiomers of 2 (Ar = Ph, X = Cl) readily interconvert in solution via a Bailar-twist mechanism, as revealed by variable-temperature H-1 NMR spectroscopic studies; activation parameters for this process were determined (Delta H++ = 9.0 +/- 0.45 kcal mol(-1); Delta S++ = -9.9 +/- 1.0 cal mol(-1) K-1).

  DOI：

  10.1021/om970862h

文献信息

• β-Diketiminate aluminium complexes: synthesis, characterization and ring-opening polymerization of cyclic esters
  作者：Shaogang Gong、Haiyan Ma

  DOI：10.1039/b802638f

  日期：——

  tetrahedral geometry. Attempt to synthesize β-diketiminate aluminium alkoxide complexes by the reactions of monochloride complex “(BDI-2a)AlMeCl” (4) with alkali salts of 2-propanol gave unexpectedly an aluminoxane [(BDI-2a)AlMe]2(μ-O) (7) as characterized by X-ray diffraction methods. Complexes 3a–m and [(2,6-iPr2C6H3NCMe)2HC]AlEt2 (8) were found to catalyze the ring-opening polymerization (ROP) of ε-caprolactone

  铝系列 烷基β-二酮对称或不对称的二元络合物（BDI）AlEt 2（3a–m）配体（BDI）框架是从三乙基铝和相应的β-二酮亚胺的反应中获得的。X射线衍射研究证实了铝配合物3k的单体结构，表明铝中心是由两个氮 螯合二酮的供体 配体和两个乙基的四面体几何形状扭曲。尝试通过一氯化物络合物“（（BDI- 2a）AlMeCl”（4）与碱金属盐的反应）合成β-二酮化铝醇盐络合物2-丙醇出人意料地得到了铝氧烷[（BDI- 2a）AlMe] 2（μ-O）（7），其特征在于X射线衍射方法。发现配合物3a–m和[（2,6- i Pr 2 C 6 H 3 NCMe）2 HC] AlEt 2（8）催化H2O3的开环聚合（ROP）。ε-己内酯适度活动。辅助的空间和电子特性配体对相应的铝配合物的聚合性能有重要影响。在电子对位引入给电子取代基芳基 响在 配体导致催化活性明显降低。络合物3h在所研究的铝络合物中显示出最
• Zirconium complexes with versatile β-diketiminate ligands: Synthesis, structure, and ethylene polymerization
  作者：Shaogang Gong、Haiyan Ma、Jiling Huang

  DOI：10.1016/j.jorganchem.2008.08.024

  日期：2008.11

  zirconium complexes (2c, 2d, 2f, 2g, 2h, 2i) containing symmetrical or unsymmetrical β-diketiminate ligands were synthesized by the reaction of ZrCl4 · 2THF with lithium salt of the corresponding ligand in 1:2 molar ratio. X-ray crystal structures reveal that complexes 2d and 2g adopt distorted octahedral geometry around the zirconium center. These complexes showed moderate activities for ethylene polymerization

  以1:2摩尔比的ZrCl4·2THF与相应配体的锂盐反应合成了一系列含有对称或不对称β-二酮亚胺配体的锆配合物（2c、2d、2f、2g、2h、2i）。X 射线晶体结构显示配合物 2d 和 2g 在锆中心周围采用扭曲的八面体几何形状。当甲基铝氧烷 (MAO) 用作助催化剂时，这些配合物对乙烯聚合具有中等活性。苯环上取代基的空间和电子效应对金属配合物的催化活性以及所制备聚合物的分子量和分子量分布（MWD）有相当大的影响。将吸电子CF3基团引入配体中的苯基导致催化活性显着增加，在所研究的配合物中，配合物2f (p- ) 的催化活性最高，为7.45 × 105 g PE/mol-Zr·h。配合物 2a-d 可以生产在分子量测量条件下几乎不溶于十氢萘或 1,2-二氯苯的超高分子量聚乙烯 (UHMWPE)。然而，具有宽 MWD 的聚乙烯可以由配合物 2g-i 提供，这可能是由于引入了庞大的不对称配