[(2-(2,6-diisopropyl)anilinotropone)Ni(triphenylphosphine)(Ph)] | 336627-78-2

• 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: [(2-(2,6-diisopropyl)anilinotropone)Ni(triphenylphosphine)(Ph)]
• 英文别名: Benzene;7-[2,6-di(propan-2-yl)phenyl]iminocyclohepta-1,3,5-trien-1-olate;nickel(2+);triphenylphosphane
• CAS: 336627-78-2；358975-34-5
• 化学式: C₄₃H₄₂NNiOP
• 分子量: 678.476
• InChiKey: ATHOHJRVMMGQHL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.17
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(2-(2,6-diisopropyl)anilinotropone)Ni(triphenylphosphine)(Ph)] 以 甲苯 为溶剂， 生成 [(2-(2,6-diisopropyl)anilinotropone)2Ni]
  参考文献：
  名称：

  由大块苯胺酮配体衍生的中性 Ni(II) 配合物催化乙烯聚合的机理研究

  摘要：

  对衍生自庞大苯胺酮配体的中性 Ni(II) 催化剂催化的乙烯聚合进行了广泛的机理研究。制备的配合物和预催化剂包括芳基衍生物 [(2,6-i-Pr(2)C(6)H(3))NC(7)H(4)O(7-Aryl)Ni(Ph)(PPh(3) ))] (9, Aryl = 苯基(a), 1-萘基(b), 对甲氧基苯基(c), 对三氟甲基苯基(d)), 烷基衍生物[[(2,6-(i)Pr(2) )C(6)H(3))NC(7)H(5)O]Ni(R)(2,4-二甲基吡啶)] (16, R = Et (a), n-Pr (b)) 和[[(2,6-(i)Pr(2)C(6)H(3))NC(7)H(5)O]Ni(R)(PPh(3))] (17, R = Et (a)、n-Pr (b)、n-己基 (c)、i-Pr (d)) 和镍氢化物配合物 [[(2,6-(i)Pr(2)C(6)H) (3))NC(7)H(5)O]N

  DOI：

  10.1021/ja030634g
• 作为产物：
  描述：

  trans-chloro(phenyl)bis(triphenylphosphine)nickel(II) 、 以 甲苯 为溶剂， 生成 [(2-(2,6-diisopropyl)anilinotropone)Ni(triphenylphosphine)(Ph)]
  参考文献：
  名称：

  A Highly Active Anilinotropone-Based Neutral Nickel(II) Catalyst for Ethylene Polymerization

  摘要：

  The synthesis of a neutral nickel(II) complex of 2-(2,6-diisopropylanilino)tropone is described. The important attributes of this ligand include a hindered N-aryl ring, a five-membered-ring chelate, and an anionic N-donor. The complex has been characterized in the solid state by X-ray crystallography, and relevant features are discussed. The nickel complex is capable of polymerizing ethylene with a turnover frequency of up to 8.8 x 10(6) g of PE (mol of catalyst)(-1) h(-1) and of producing polyethylenes with a wide range of branching numbers by changes in pressure and temperature. The catalyst shows an excellent tolerance for polar additives in ethylene polymerization experiments and is quite insensitive to added PPh(3).(1)

  DOI：

  10.1021/om010211s

文献信息

• Synthesis and Ethylene Polymerization Activity of a Series of 2-Anilinotropone-Based Neutral Nickel(II) Catalysts
  作者：Frederick A. Hicks、Jason C. Jenkins、Maurice Brookhart

  DOI：10.1021/om030142c

  日期：2003.8.1

  A method for the synthesis of bulky 2-anilinotropones has been developed, utilizing palladium-catalyzed cross-coupling techniques. Deprotonation of these anilinotropones followed by reaction with (PPh(3))(2)Ni(Ph)Cl produces ethylene polymerization catalysts of the general formula [[(2-R-6-R'C(6)H(3))NC(7)H(5)O]Ni(Ph)(PPh(3))] (3a-j: R, R'= Me, Me (a), (i)Pr, (i)Pr (b), (t)Bu, H (c), (t)Bu, Me (d), Ph, Ph (e), Cl, Cl (f), Br, Br (g), 2,3,4,5,6-F(5) (h), Me, H (j), Me, CF(3) (k)). Ethylene polymerizations with 3a-j have been explored under a variety of reaction conditions. The complex [[(2,6-(i)Pr(2)C(6)H(3))NC(7)H(4)O(7-aryl)]Ni(Ph)(PPh(3))] (14: aryl = phenyl (a), 1-naphthyl (b)), possessing steric bulk at the 7-position, have been prepared and are both long-lived and active ethylene polymerization catalysts. At low temperatures 14a,b produce polyethylene with narrow molecular weight distributions (MWD ca. 1.2). The polymerization results suggest that chain transfer occurs via beta-hydride elimination pathway and that catalyst decomposition proceeds through reductive elimination of the free ligand from a nickel-hydride intermediate.