(C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2) | 642067-23-0

• 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: (C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2)
• 英文别名: N-[2,6-di(propan-2-yl)phenyl]-1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]propan-2-imine；N-[2,6-di(propan-2-yl)phenyl]-1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]propan-2-imine
• CAS: 642067-23-0
• 化学式: C₃₉H₄₉N₂P
• 分子量: 576.805
• InChiKey: KQEBWSPVAZCBGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  di(rhodium)tetracarbonyl dichloride 、 (C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2) 在 n-butyllithium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Rhodium carbonyl complexes of bulky, anionic nitrogen-based ligands: A comparison of donating ability

  摘要：

  Phosphinimine-imine ((C(6)H(3)i-Pr-2)NC(Me)CH2PPh2(NC(6)H(3)i-Pr-2))Rh(CO)(2) - (1) and beta-diketiminate CH (C(Me)(Ni-Pr2C6H3))(2)Rh(CO)(2) - (2) rhodium dicarbonyl complexes were prepared as to elucidate any difference among these anionic, nitrogen-based ligands regarding donating ability to the rhodium center. Utilizing infrared spectroscopy and single crystal structural comparisons, differences in electron density donation by the ligands to the rhodium center were not observed. The carbonyl stretching frequencies of the aforementioned rhodium complexes were nu(CO) = 2055, 1987 and 2055, 1988 for the phosphinimine-imine (1) and beta-diketiminate (2) respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.03.036
• 作为产物：
  描述：

  1-diphenylphosphanyl-N-[2,6-di(propan-2-yl)phenyl]propan-2-imine 、 2,6-diisopropyl-1-azidobenzene 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2)
  参考文献：
  名称：

  Rich C–H bond activations of yttrium alkyl complexes bearing phosphinimino-amine ligands

  摘要：

  Aseries of phosphinimino-amine compounds (2,6-iPr(2)-C6H3NH)C(Me)CHPPh2(NAr)(Ar = 2,6-iPr(2)-C6H3 (HL1),2,6-Et-2-C6H3 (HL2),2,6-Me-2-C6H3 (HL3), C6H5 (HL4), 3-CF3-C6H4 (HL5)) that existed in imine and amine forms were synthesized and fully characterized. Treatment of HL1-5 with Y(CH2SiMe3)(3)(THF)(2) afforded the corresponding yttrium mono- or bis(alkyl) complexes that depended significantly on the ancillary ligands. The reactions between HL1-3 and Y(CH2SiMe3)(3)(THF)(2) at room temperature generated mononuclear monoalkyl complexes 1-3 via deprotonation and C-H bond activation. However, when compounds HL4,5 were used, the dialkyl complexes 4 and 5 were isolated by deprotonation only. The molecular structures of complexes 1-4 were characterized with X-ray crystallography and discussed. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.005

文献信息

• Nickel and palladium phosphinimine-imine ligand complexes
  作者：Jason D. Masuda、Pingrong Wei、Douglas W. Stephan

  DOI：10.1039/b306110h

  日期：——

  The imine (C6H3i-Pr2)NCMe21 was prepared and used to make the phosphine (C6H3i-Pr2)NC(Me)CH2PPh22. Oxidation with the substituted arylazide resulted in the isolation of the phosphinimine-imine species (C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2) 3. The ligand 3 forms the neutral Ni-complex NiBr2((C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2)) 4 while attempts to prepare the analogous Pd species were unsuccessful. Reaction of 3 with n-BuLi produced the Li-salt Li(thf)((C6H3i-Pr2)NC(Me)CHPPh2(NC6H3i-Pr2)) 5. Subsequent reaction with NiBr2(dme) afforded [Ni((C6H3i-Pr2)NC(Me)CHPPh2(NC6H3i-Pr2))(μ-Br)2Li(thf)2] 6. In related syntheses 5 reacted with NiBr2(dme) or (PhCN)2PdCl2 and PPh3 to give the complexes of formulation MX((C6H3i-Pr2)NC(Me)CHPPh2(NC6H3i-Pr2))(PPh3) (X = Br, M = Ni 7; X = Cl, M = Pd 8). The latter complexes 7 and 8 are phosphinimine-N–C bound. Structural studies of 2 and 4–8 are reported. The implications of these studies for the utility of this phosphinimine-imine ligand in olefin polymerization catalysts are considered.

  制备亚胺(C6H3i-Pr2)NCMe21并用于制备膦(C6H3i-Pr2)NC(Me)CH2PPh22。用取代的芳基叠氮进行氧化，分离出膦亚胺-亚胺 (C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2) 3.配体3形成中性Ni配合物NiBr2((C6H3i-Pr2)NC(Me)CH2PPh2(NC6H3i-Pr2)) 4 而尝试制备类似的 Pd 物质却没有成功。 3与正丁基锂反应生成锂盐Li(thf)((C6H3i-Pr2)NC(Me)CHPPh2(NC6H3i-Pr2)) 5. 随后与 NiBr2(dme) 反应得到 [Ni((C6H3i-Pr2)NC(Me)CHPPh2(NC6H3i-Pr2))(μ-Br)2Li(thf)2] 6. 在相关合成 5 中，与 NiBr2(dme) 或 (PhCN)2PdCl2 和 PPh3 反应，得到配方 MX((C6H3i-Pr2)NC(Me)CHPPh2(NC6H3i-Pr2))(PPh3) 的复合物 （X = Br，M = Ni 7；X = Cl，M = Pd 8）。后者配合物 7 和 8 是膦亚胺-N-C 结合的。 2 和 4-8 的结构研究已有报道。考虑了这些研究对这种膦亚胺-亚胺配体在烯烃聚合催化剂中的应用的影响。