[Co(η1-N2)(2,6-(MeCN(2,6-(CHMe2)2C6H3))2C5H3N)][MeB(C6F5)3] | 392292-95-4

• 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: [Co(η1-N2)(2,6-(MeCN(2,6-(CHMe2)2C6H3))2C5H3N)][MeB(C6F5)3]
• CAS: 392292-95-4
• 化学式: C₁₉H₃BF₁₅*C₃₃H₄₃CoN₅
• 分子量: 1095.75
• InChiKey: KOFKBLMERUUWQN-HNZPQQFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  3,3-二甲基-1-丁炔 、 [Co(η1-N2)(2,6-(MeCN(2,6-(CHMe2)2C6H3))2C5H3N)][MeB(C6F5)3] 以 氘代甲苯 为溶剂， 生成 [Co(CHCHC(CH3)3)(CCC(CH3)3)((2,6-(MeCN(2,6-(CHMe2)2C6H3))2C5H3N)][MeB(C6F5)3]
  参考文献：
  名称：

  Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts:  Synthesis, Structures, and Deuterium Labeling Studies

  摘要：

  The activation of bis(imino)pyridine cobalt(II) precatalysts by MAO leads initially to a bis(imino)pyridine cobalt(I) cationic species with no cobalt-C(alkyl) bond into which insertion can occur. Mechanistic studies have shown that the initiation of polymerization from this species involves incorporation of alkyl groups from the cocatalyst, most likely involving attack of methide anion (from the counteranion) on a cobalt-ethylene species.

  DOI：

  10.1021/om049032b
• 作为产物：
  描述：

  2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine cobalt(II) dichloride 以 乙醚 、 氘代甲苯 为溶剂， 生成 [Co(η1-N2)(2,6-(MeCN(2,6-(CHMe2)2C6H3))2C5H3N)][MeB(C6F5)3]
  参考文献：
  名称：

  Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts:  Synthesis, Structures, and Deuterium Labeling Studies

  摘要：

  The activation of bis(imino)pyridine cobalt(II) precatalysts by MAO leads initially to a bis(imino)pyridine cobalt(I) cationic species with no cobalt-C(alkyl) bond into which insertion can occur. Mechanistic studies have shown that the initiation of polymerization from this species involves incorporation of alkyl groups from the cocatalyst, most likely involving attack of methide anion (from the counteranion) on a cobalt-ethylene species.

  DOI：

  10.1021/om049032b

文献信息

• ——
  作者：Vernon C. Gibson、Martin J. Humphries、Kilian P. Tellmann、Duncan F. Wass、Andrew J. P. White、David J. Williams

  DOI：10.1039/b107490c

  日期：2001.10.23

  Studies on cobalt ethylene polymerisation catalysts bearing bis(imino) pyridine ligands strongly indicate that the activated species is not the anticipated cobalt(II) alkyl cation.