[(η3:η0-Ind(CH2)2NMe2)Ni(PPh3)Cl] | 267901-88-2

• 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: [(η3:η0-Ind(CH2)2NMe2)Ni(PPh3)Cl]
• 英文别名: (η3:η0-N-(1-indenylethyl)dimethylamine)nickel(PPh3)Cl；2-inden-1-id-1-yl-N,N-dimethylethanamine;nickel(2+);triphenylphosphane;chloride
• CAS: 267901-88-2
• 化学式: C₃₁H₃₁ClNNiP
• 分子量: 542.711
• InChiKey: ADGROMLDCNSYNA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(η3:η0-Ind(CH2)2NMe2)Ni(PPh3)Cl] 、 三环己基膦 以 乙醚 为溶剂， 以93%的产率得到(η3:η0-Ind(CH2)2NMe2)Ni(PCy3)Cl*H2O
  参考文献：
  名称：

  氨基烷基取代的Indenylnickel（II）配合物（η 3：η 0 -Ind（CH 2）2 NME 2）的Ni（PR 3）X和[（η 3：η 1 -Ind（CH 2）2 NME 2）的Ni（ PR 3）] [BPh 4 ]：膦在配体交换和聚合反应中的影响

  摘要：

  LiInd的反应（CH 2）2 NME 2与（PR 3）2的NiCl 2，得到中性复合物（η 3：η 0 -Ind（CH 2）2 NME 2）的Ni（PR 3）氯（R = Ph（上1）或Me（2）），而PCY 3类似物，（η 3：η 0 -Ind（CH 2）2 NME 2）的Ni（PCY 3）氯（3），通过反应而得到的1和PCy 3。这些Ni基氯物种R'Li或NaBPh反应4分别形成，相应的Ni-R '衍生物（η 3：η 0 -Ind（CH 2）2 NME 2）的Ni（PR 3）R'（R =苯基，R '=我（4）或CCPh（5）; R = R'=我（6））或阳离子物质[（η 3：η 1 -Ind（CH 2）2 NME 2）的Ni（PR 3）] +（R = Ph（7），Me（8）或Cy（9）），其中NMe 2部分与镍中心配位。这些配合物得到了充分的表征，包括固态结构测定通过X射线晶体学复合物

  DOI：

  10.1021/om0341348
• 作为产物：
  描述：

  bis(triphenylphosphine)nickel(II) chloride 、 3-(2-(N,N-dimethylamino)ethyl)indene 在 BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 [(η3:η0-Ind(CH2)2NMe2)Ni(PPh3)Cl]
  参考文献：
  名称：

  Preparation and Characterization of Nickel Complexes with η-Indenyl Ligands Bearing a Pendant Aminoalkyl Chain

  摘要：

  The aminoindenyl complexes {Ind(CH2)(3,4)N(t-Bu)H}Ni(PPh3)Cl (7, 8) and {Ind(CH2)(2,3)NMe2}Ni(PPh3)Cl (9, 10) have been prepared and characterized by spectroscopy and, in the case of 7 and 9, by X-ray structural studies. Although there is no interaction between the Ni center and the amine moiety of these complexes in the solid state, solution spectra point to a temperature-dependent, intramolecular N-->Ni coordination in complex 9 and a more facile, intermolecular interaction in 10. Abstraction of Cl- from these complexes led to the formation of the cations [{eta(3):eta(0)-Ind(CH2)(3,4)N(t-Bu)H}Ni(PPh3)(2)](+) and [{eta(3):eta(1)-Ind(CH2)(2,3)NMe2}Ni(PPh3)](+) (11, 12). The origin of the observed differences in the reactivities of these complexes is discussed in terms of the lengths of the tether and the nature of the N-substituents.

  DOI：

  10.1021/om9907122

文献信息

• Structure and Reactivity of the Cationic Nickel Compound [(η³:η¹-Ind(CH₂)₂NMe₂)Ni(PPh₃)][BPh₄]
  作者：Laurent F. Groux、Davit Zargarian

  DOI：10.1021/om010200z

  日期：2001.8.1

  catalytic reactions are qualitatively different from those catalyzed by the cationic species generated in situ from the precursor complex (η3:η0-Ind(CH2)2NMe2)Ni(PPh3)Cl (1). Phosphines displace the amine tether in 2 to give the bis(phosphine) cations [(η3:η0-Ind(CH2)2NMe2)Ni(Ph2PCH2CH2PPh2)]+ (3) and [(η3:η0-Ind(CH2)2NMe2)Ni(PPh3)(PR3)]+ (4, R = Ph; 5, R = Me), whereas LiI reacts to form the neutral compound

  含有螯合氨基茚基配位体的第一镍化合物的固态结构，[（η 3：η 1 -Ind（CH 2）2 NME 2）的Ni（PPH 3）] [BPH 4 ]（2），具有已解决，并证实了胺系链与镍中心的螯合。络合物2用作降冰片烯的低聚，苯基硅烷的二聚和苯乙烯的聚合的预催化剂。这些催化反应的结果是从那些由从所述前体复合物在原位产生的阳离子种催化性质上不同的（η 3：η 0 -Ind（CH 2）2 NMe 2）Ni（PPh 3）Cl（1）。膦置换的胺系链2，得到双（膦）阳离子[（η 3：η 0 -Ind（CH 2）2 NME 2）的Ni（PH 2 PCH 2 CH 2 PPH 2）] +（3）和[ （η 3：η 0 -Ind（CH 2）2 NME 2）的Ni（PPH 3）（PR 3）] +（4，R ＝ Ph；5，R = Me）的，而的LiI反应形成中性化合物[（η 3：η 0 -Ind（CH 2）2 NME
• Aminoalkyl-Substituted Indenyl−Nickel Compounds:  Tuning Reactivities as a Function of the Pendant, Hemilabile Moiety
  作者：Laurent F. Groux、Davit Zargarian

  DOI：10.1021/om030241q

  日期：2003.7.1

  evident in complex 3. Abstraction of Cl- from the neutral precursors 1−3 yields the corresponding cationic derivatives [(η3:η1-Ind∧NR2)Ni(PPh3)]+ (4−6) wherein the amino tether is chelated to the nickel center. Complexes 1−5 have been isolated and fully characterized by multinuclear NMR spectroscopy and, in the case of 1 and 4, by single-crystal X-ray diffraction studies. The isolation of complex 6 is complicated

  茚基配体轴承三种不同的氨烷基取代基已被用于制备复合物（Ind∧NR 2）的Ni（PPH 3）Cl（上Ind∧NR 2 = 2-（1-茚）吡啶（1），ñ -（1- indenylethyl ）吡咯烷（2）和N-（1-茚基乙基）二异丙胺（3））。配合物1和2的溶液NMR光谱表明存在一个动态过程，该过程涉及胺侧基与Ni中心的可逆配位，但在配合物3中没有N-Ni相互作用。氯的抽象-从中立的前体1 - 3的产率相应的阳离子衍生物[（η 3：η 1 -Ind∧NR 2）的Ni（PPH 3）] +（4 - 6），其中，系绳螯合到镍中心的氨基。配合物1 - 5已被分离，并通过多核NMR谱和完全表征，在的情况下，1和4，通过单晶X射线衍射研究。的复合物的隔离6是通过其部分转化为双（膦）衍生物[复杂η 3：η0 -IndCH 2 CH 2 N（i -Pr）2 } Ni（PPh 3）2 ] +（7）。通过dppe，PPh
• Dimerization and polymerization of ethylene catalyzed by nickel complexes bearing multidentate amino-functionalized indenyl ligands
  作者：Laurent F Groux、Davit Zargarian、Leonardo C Simon、João B.P Soares

  DOI：10.1016/s1381-1169(02)00463-6

  日期：2003.2

  The combination of the neutral compound (eta(3) : eta(0)-Ind(CH2)(2)NMe2)Ni(PPh3)Cl (1) and methylaluminoxane (MAO) produces catalysts for the dimerization and the polymerization of ethylene. On the other hand, activation of the cationic complex [(eta(3):eta(1)-Ind(CH2)(2)NMe2)Ni(PPh3)][BPh4] (2) by MAO or trimethylaluminum leads to a system which dimerizes ethylene with high turnover frequencies (2 x 10(3) s(-1)), but does not promote its polymerization. The effects of parameters such as ethylene pressure, reaction temperature and time, solvent type, and the type and amount of activator used have been studied in order to optimize the conditions for the formation of polyethylene. In addition, a number of reactions have been studied by NMR and GC-MS analysis in an effort to identify the catalytically active species. The results of these studies point to the involvement of cationic species in the dimerization of ethylene, whereas, the active catalyst for the polymerization of ethylene appears to be a non-cationic species. (C) 2002 Elsevier Science B.V. All rights reserved.