(1-isopropylindenyl)Ni(PPh3)(triflate) | 480430-90-8

• 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: (1-isopropylindenyl)Ni(PPh3)(triflate)
• 英文别名: [(1-isopropylindenyl)Ni(PPh3)(O3SCF3)]；nickel(2+);1-propan-2-ylinden-1-ide;trifluoromethanesulfonate;triphenylphosphane
• CAS: 480430-90-8
• 化学式: C₃₁H₂₈F₃NiO₃PS
• 分子量: 627.286
• InChiKey: MWQTZRYVJQDRLU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1-isopropylindenyl)Ni(PPh3)(triflate) 、 乙腈 以 二氯甲烷 为溶剂， 以50%的产率得到[(1-isopropylindenyl)Ni(PPh3)(acetonitrile)] triflate
  参考文献：
  名称：

  Nickel-Triflate Complexes as Precursors to Reactive Cations:  Preparation and Reactivities of (1-R-indenyl)Ni(PPh₃)(OSO₂CF₃)

  摘要：

  The complexes (1-R-indenyl)Ni(PPh3)(OTf) (OTf = OSO2CF3; R = Et (1), i-Pr (2), and Bz (3)) have been prepared by reacting the corresponding Ni-thienyl or Ni-Cl precursors with HOW (triflic acid) or AgOTf, respectively. The triflate ligand in these complexes undergoes facile displacement by various substrates or ligands to facilitate (a) catalytic dimerization of ethylene, isomerization of 1-hexene, and polymerization of phenylacetylene, or (b) formation of the cationic complexes [(1-R-indenyl)(PPh3)Ni(L)](+) (R = i-Pr (a) and CH2Ph (b); L = CH3CN (4), PhCN (5), CO (6), Py (7), CNC(CH3)(3) (8), PPh3 (9), and PMe3 (10)). Compounds 1-10 have been characterized spectroscopically and, in the case of complexes 2, 4a, and Sa, by single-crystal X-ray crystallography.

  DOI：

  10.1021/om020558a
• 作为产物：
  描述：

  [(1-isopropylindenyl)Ni(PPh3)Cl] 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以53%的产率得到(1-isopropylindenyl)Ni(PPh3)(triflate)
  参考文献：
  名称：

  Nickel-Triflate Complexes as Precursors to Reactive Cations:  Preparation and Reactivities of (1-R-indenyl)Ni(PPh₃)(OSO₂CF₃)

  摘要：

  The complexes (1-R-indenyl)Ni(PPh3)(OTf) (OTf = OSO2CF3; R = Et (1), i-Pr (2), and Bz (3)) have been prepared by reacting the corresponding Ni-thienyl or Ni-Cl precursors with HOW (triflic acid) or AgOTf, respectively. The triflate ligand in these complexes undergoes facile displacement by various substrates or ligands to facilitate (a) catalytic dimerization of ethylene, isomerization of 1-hexene, and polymerization of phenylacetylene, or (b) formation of the cationic complexes [(1-R-indenyl)(PPh3)Ni(L)](+) (R = i-Pr (a) and CH2Ph (b); L = CH3CN (4), PhCN (5), CO (6), Py (7), CNC(CH3)(3) (8), PPh3 (9), and PMe3 (10)). Compounds 1-10 have been characterized spectroscopically and, in the case of complexes 2, 4a, and Sa, by single-crystal X-ray crystallography.

  DOI：

  10.1021/om020558a

文献信息

• Preparation, characterization, and reactivities of thienyl nickel complexes bearing indenyl ligands
  作者：Ruiping Wang、Laurent F Groux、Davit Zargarian

  DOI：10.1016/s0022-328x(02)01798-9

  日期：2002.10

  5×104 Da. NMR studies have revealed that MAO methylates these complexes without ionizing the Nithienyl bond; this implies that the polymerization reactions likely follow a non-cationic mechanism similar to that catalyzed by the corresponding NiCCPh complexes studied previously. Complexes 1–5 reacted with CF3SO3H to produce the corresponding NiOSO2CF3 compounds by protonation at the α-C of the thienyl

  配合物（1-R，2-R'-茚基）NiPPh 3（噻吩基）（R'= H，R = Me（1）; Et（2）; i -Pr（3）; CH 2 Ph（4） ; R'=苯基，R =我（5））已经被制备和表征通过光谱技术和，在的情况下1，2和5，通过X射线晶体学研究。当与MAO结合，这些化合物催化苯乙炔聚合顺-transoidal聚（苯基乙炔）与中号瓦特在5-7.5×10的范围内4那里。NMR研究表明，MAO可以使这些络合物甲基化，而不会电离Niththenyl键。这表明聚合反应可能遵循类似于先前研究的相应NiCCPh配合物催化的非阳离子机理。配合物1 - 5与CF反应3 SO 3 H至产生相应NiOSO 2 CF 3个通过质子在噻吩基部分的α-C的化合物。已经分离出化合物（1-Bz茚基）Ni（PPh 3）（OSO 2 CF 3）（9）并对其进行了充分表征。