[BF4][(H2O)Pd(C6H2(CH2NMe2)2-2,6-(Si(Me)2(CH2)6OSO3-4)][NBu4] | 483357-94-4

• 英文名称: [BF4][(H2O)Pd(C6H2(CH2NMe2)2-2,6-(Si(Me)2(CH2)6OSO3-4)][NBu4]
• CAS: 483357-94-4
• 化学式: BF₄*C₁₆H₃₆N*C₂₀H₃₈N₂O₅PdSSi
• 分子量: 882.377
• InChiKey: SYENRPGHRYSLSK-UHFFFAOYSA-M

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：

  [BF4][(H2O)Pd(C6H2(CH2NMe2)2-2,6-(Si(Me)2(CH2)6OSO3-4)][NBu4] 在 H₂O 作用下， 以 二氯甲烷 为溶剂， 以72%的产率得到[(H2O)Pd(C6H2(CH2NMe2)2-2,6-(Si(Me)2(CH2)6OSO3-4)]
  参考文献：
  名称：

  Organometallic Zwitterions:  Arylpalladium(II) (Pincer) Complexes with a Tethered Sulfato Group as para-Substituent

  摘要：

  Arylpalladium (NCN-pincer) complexes [NBu4][O3SO(CH2)(n)SiMe2NCNPdCl] (n = 3 (1a) and n = 6 (1b)) with a tethered sulfato group as para-substituent were synthesized. These novel complexes combine an anionic sulfato group and a neutral NCN-Pd-Cl group in one molecule. Furthermore, 1a,b were converted into their corresponding cationic Pd-aqua complexes 9a,b, which bear both separated anionic sites and Pd cationic sites stabilized by counterions. These mixed, zwitterionic salts can be isolated devoid of counterions to give the pure unimolecular zwitterions [O3SO(CH2)(n)SiMe2NCNPd(OH2)] (n = 3 (2a) and n = 6 (2b)) that aggregate in order to stabilize their ionic sites. The crystal structure of HO(CH2)(6)-SiMe2NCNPdCl (8b) was revealed and used to study the effect of the tether group on the type of aggregate that is formed. The crystal structure of 8b comprises a dimeric structure, which is formed via noncovalent interactions, i.e., O-(HCl)-Cl-...-Pd hydrogen bonds.

  DOI：

  10.1021/om050494e
• 作为产物：
  描述：

  1,1'-(5-((3-((tert-butyldimethylsilyl)oxy)propyl)dimethylsilyl)-2-(trimethylsilyl)-1,3-phenylene)bis(N,N-dimethylmethanamine) 在 (C₄H₉)4NF 、 pyridine 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 生成 [BF4][(H2O)Pd(C6H2(CH2NMe2)2-2,6-(Si(Me)2(CH2)6OSO3-4)][NBu4]
  参考文献：
  名称：

  Organometallic Zwitterions:  Arylpalladium(II) (Pincer) Complexes with a Tethered Sulfato Group as para-Substituent

  摘要：

  Arylpalladium (NCN-pincer) complexes [NBu4][O3SO(CH2)(n)SiMe2NCNPdCl] (n = 3 (1a) and n = 6 (1b)) with a tethered sulfato group as para-substituent were synthesized. These novel complexes combine an anionic sulfato group and a neutral NCN-Pd-Cl group in one molecule. Furthermore, 1a,b were converted into their corresponding cationic Pd-aqua complexes 9a,b, which bear both separated anionic sites and Pd cationic sites stabilized by counterions. These mixed, zwitterionic salts can be isolated devoid of counterions to give the pure unimolecular zwitterions [O3SO(CH2)(n)SiMe2NCNPd(OH2)] (n = 3 (2a) and n = 6 (2b)) that aggregate in order to stabilize their ionic sites. The crystal structure of HO(CH2)(6)-SiMe2NCNPdCl (8b) was revealed and used to study the effect of the tether group on the type of aggregate that is formed. The crystal structure of 8b comprises a dimeric structure, which is formed via noncovalent interactions, i.e., O-(HCl)-Cl-...-Pd hydrogen bonds.

  DOI：

  10.1021/om050494e

文献信息

• Ionic Core−Shell Dendrimers with an Octacationic Core as Noncovalent Supports for Homogeneous Catalysts
  作者：Rob van de Coevering、Alfred P. Alfers、Johannes D. Meeldijk、Eloísa Martínez-Viviente、Paul S. Pregosin、Robertus J. M. Klein Gebbink、Gerard van Koten

  DOI：10.1021/ja060079t

  日期：2006.10.1

  Ionic core-shell dendrimers with an octacationic core have been applied as noncovalent supports for homogeneous catalysts. Catalytically active arylpalladium complexes, which bear a tethered sulfato group, were noncovalently attached to the ionic core-shell dendritic supports via a straightforward ion-exchange reaction under mild conditions. Diagnostic shifts in (1)H NMR and Overhauser contacts show

  具有八阳离子核的离子核壳树枝状聚合物已被用作均相催化剂的非共价载体。具有催化活性的芳基钯配合物，带有一个连接的硫酸根基团，在温和条件下通过直接的离子交换反应非共价连接到离子核 - 壳树枝状载体上。(1)H NMR 和 Overhauser 接触的诊断变化表明，催化剂的硫酸根基团位于所得组件中树枝状载体的八阳离子核心附近。催化 Pd(II) 位点的位置通过两种策略发生变化：通过增加树枝状聚合物的生成和/或通过缩短硫酸根系链。此外，制备了金属树枝状组件，其带有非极性十二烷基的替代壳。树枝状大分子的大小和树枝状壳的性质对树枝状载体的结合特性没有影响，即第 1-3 代的八阳离子树枝状大分子与芳基钯配合物形成离散的 1:8 组装。已经通过脉冲梯度自旋回波 NMR 扩散方法、Overhauser 光谱和电子显微镜 (TEM) 研究了金属树枝状组件的结构方面和性质。这些技术表明，树枝状载体和芳基钯配合物
• A polycationic dendrimer as noncovalent support for anionic organometallic complexesElectronic supplementary information (ESI) available: 1H NMR data (including T1 and T2 data) and IR data for 1, 2, 2a, 3, 3a, 4 and 5. ESI-MS and elemental analysis data for 3. Space-filling model of the calculated molecular structure of 3. See http://www.rsc.org/suppdata/cc/b2/b201491b/
  作者：Rob van de Coevering、Mark Kuil、Robertus J. M. Klein Gebbink、Gerard van Koten

  DOI：10.1039/b201491b

  日期：2002.7.11

  Polycationic dendrimer 1 forms a well-defined, stoichiometric assembly with eight anionic metal complexes; this assembly is successfully applied as a Lewis acidic catalyst which performs comparably to the unsupported metal complex.

  聚阳离子树状聚合物1与八种阴离子金属络合物形成定义明确的化学计量的组装；该组件成功用作路易斯酸性催化剂，其性能与无载体金属络合物相当。