7-phenyl-2-(2,6-diisopropyl)anilinotropone | 597584-40-2

• 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: 7-phenyl-2-(2,6-diisopropyl)anilinotropone
• 英文别名: 2-(2,6-diisopropylanilino)-7-phenyltropone；2-[2,6-Di(propan-2-yl)anilino]-7-phenylcyclohepta-2,4,6-trien-1-one；2-[2,6-di(propan-2-yl)anilino]-7-phenylcyclohepta-2,4,6-trien-1-one
• CAS: 597584-40-2
• 化学式: C₂₅H₂₇NO
• 分子量: 357.495
• InChiKey: WOVATQXZJZBSNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-phenyl-2-(2,6-diisopropyl)anilinotropone 、 [(7-phenyl-2-(2,6-diisopropyl)anilinotropone)Ni(triphenylphosphine)(Ph)] 以 氘代苯 为溶剂， 生成 [(7-phenyl-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

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.
• A Mechanistic Investigation of the Polymerization of Ethylene Catalyzed by Neutral Ni(II) Complexes Derived from Bulky Anilinotropone Ligands
  作者：Jason C. Jenkins、Maurice Brookhart

  DOI：10.1021/ja030634g

  日期：2004.5.1

  completely to the alkyl olefin complex. Under these conditions, the barriers to migratory insertion were determined to be ca. 16-17 kcal/mol for 9a, 9c, 9d, and 16a. Extraction of 2,6-lutidine from complexes 16a,b yields highly dynamic beta-agostic alkyl complexes [[(2,6-i-Pr(2)C(6)H(3))NC(7)H(5)O]Ni(Et)] 21 and [[(2,6-i-Pr(2)C(6)H(3))NC(7)H(5)O]Ni(i-Pr)] 22. Free energy barriers to nickel-carbon bond

  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