(2,6-i-Pr2C6H3NH)C(Me)CHPPh2(NC6H3-2,6-(i-Pr2))

• 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: (2,6-i-Pr2C6H3NH)C(Me)CHPPh2(NC6H3-2,6-(i-Pr2))
• 英文别名: N-[(Z)-1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline；N-[(Z)-1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline
• 化学式: C₃₉H₄₉N₂P
• 分子量: 576.805
• InChiKey: OPWIMBODSCHBAR-ZXPTYKNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,6-i-Pr2C6H3NH)C(Me)CHPPh2(NC6H3-2,6-(i-Pr2)) 以 正戊烷 为溶剂， 生成 [(2,6-i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-2,6-(i-Pr2))AlMe][B(C6F5)4]
  参考文献：
  名称：

  Neutral and Cationic Group 13 Alkyl and Hydride Complexes of a Phosphinimine−Amide Ligand

  摘要：

  The phosphinimine-amine ligand 1 reacts with MR3 (M = Al, Ga; R = Me, H) with loss of RH to form the complexes (i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)MMe2 (M = Al (2), Ga (3)) and (i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)AlH2 (4). Subsequent reactions of 2 and 3 with [Ph3C] [B(C6F5)(4)] afforded [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)MMe] [B(C6F5)(4)] (M = Al (5), Ga (6)), while similar reactions of 2 and 3 with B(C6F5)(3) gave [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)MMe] [B(C6F5)(3)Mel (M = Al (8), Ga (9)). The analogous reactions of 4 with [Ph3C] [B(C6F5)(4)] and B(C6F5)(3) resulted in the formation of [(i-Pr2C6H3N)C(Me)CHPPh2-(NC6H3-i-Pr(2)AIH] [B(C6F5)(4)] (10) and [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)AIH] [B(C6F5)(3)H]- (11), respectively. Crystallographic studies of 1, 2, 4, and [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr(2))AIMe(OEt2)] [B(C6F5)(4)] (7) are reported.

  DOI：

  10.1021/om0306776

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。
• Neutral and Cationic Group 13 Alkyl and Hydride Complexes of a Phosphinimine−Amide Ligand
  作者：Jason D. Masuda、Denise M. Walsh、Pingrong Wei、Douglas W. Stephan

  DOI：10.1021/om0306776

  日期：2004.4.1

  The phosphinimine-amine ligand 1 reacts with MR3 (M = Al, Ga; R = Me, H) with loss of RH to form the complexes (i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)MMe2 (M = Al (2), Ga (3)) and (i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)AlH2 (4). Subsequent reactions of 2 and 3 with [Ph3C] [B(C6F5)(4)] afforded [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)MMe] [B(C6F5)(4)] (M = Al (5), Ga (6)), while similar reactions of 2 and 3 with B(C6F5)(3) gave [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)MMe] [B(C6F5)(3)Mel (M = Al (8), Ga (9)). The analogous reactions of 4 with [Ph3C] [B(C6F5)(4)] and B(C6F5)(3) resulted in the formation of [(i-Pr2C6H3N)C(Me)CHPPh2-(NC6H3-i-Pr(2)AIH] [B(C6F5)(4)] (10) and [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr-2)AIH] [B(C6F5)(3)H]- (11), respectively. Crystallographic studies of 1, 2, 4, and [(i-Pr2C6H3N)C(Me)CHPPh2(NC6H3-i-Pr(2))AIMe(OEt2)] [B(C6F5)(4)] (7) are reported.