[Pd(3-methyl-1-picolylimidazolin-2-ylidene)2]Cl2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Pd(3-methyl-1-picolylimidazolin-2-ylidene)2]Cl2
• 英文别名: 2-[(3-methyl-2H-imidazol-3-ium-2-id-1-yl)methyl]pyridine;palladium(2+);dichloride
• 化学式: C₁₀H₁₁Cl₂N₃Pd
• 分子量: 350.543
• InChiKey: XCZZLAWHFJVHPW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  19.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二(氰基苯)二氯化钯 、 ([Ag(3-methyl-1-picolylimidazolin-2-ylidene)2]3I)I2 以 二氯甲烷 为溶剂， 以76%的产率得到[Pd(3-methyl-1-picolylimidazolin-2-ylidene)2]Cl2
  参考文献：
  名称：

  A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation:  Structure and Catalytic Activity for Olefin Polymerization

  摘要：

  Deprotonation of an imidazolium salt with silver oxide forms the silver carbene complex {[Ag(C boolean AND N)(2)](3)I}-I-2 (2; C boolean AND N) 3-methyl-1-picolylimidazolin-2-ylidene). The Ag-carbene complex undergoes a facile reaction with Pd(PhCN)(2)Cl-2 to yield the carbene complex Pd(C boolean AND N)Cl-2 (3). Complexes 2 and 3 have been characterized by IR, H-1 and C-13 NMR spectra, and elemental analyses. The molecular structures of complexes 2 and 3 have been confirmed by X-ray single-crystal analyses. Complex 2 shows moderate catalytic activities of up to 10(5) g of PE (mol of Ag)(-1) h(-1) for ethylene polymerization, and complex 3 shows very high catalytic activities of up to 108 g of PNB (mol of Pd)(-1) h(-1) for the addition polymerization of norbornene in the presence of methylaluminoxane (MAO) as cocatalyst.

  DOI：

  10.1021/om060309c

文献信息

• A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation:  Structure and Catalytic Activity for Olefin Polymerization
  作者：Xin Wang、Shuang Liu、Lin-Hong Weng、Guo-Xin Jin

  DOI：10.1021/om060309c

  日期：2006.7.1

  Deprotonation of an imidazolium salt with silver oxide forms the silver carbene complex [Ag(C boolean AND N)(2)](3)I}-I-2 (2; C boolean AND N) 3-methyl-1-picolylimidazolin-2-ylidene). The Ag-carbene complex undergoes a facile reaction with Pd(PhCN)(2)Cl-2 to yield the carbene complex Pd(C boolean AND N)Cl-2 (3). Complexes 2 and 3 have been characterized by IR, H-1 and C-13 NMR spectra, and elemental analyses. The molecular structures of complexes 2 and 3 have been confirmed by X-ray single-crystal analyses. Complex 2 shows moderate catalytic activities of up to 10(5) g of PE (mol of Ag)(-1) h(-1) for ethylene polymerization, and complex 3 shows very high catalytic activities of up to 108 g of PNB (mol of Pd)(-1) h(-1) for the addition polymerization of norbornene in the presence of methylaluminoxane (MAO) as cocatalyst.