H[N(o-C6H4PCy2)2] | 881020-78-6

• 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: H[N(o-C6H4PCy2)2]
• 英文别名: H[Cy-PNP]；2-dicyclohexylphosphanyl-N-(2-dicyclohexylphosphanylphenyl)aniline
• CAS: 881020-78-6
• 化学式: C₃₆H₅₃NP₂
• 分子量: 561.771
• InChiKey: SGQPAMKHTQTTJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  H[N(o-C6H4PCy2)2] 在 Al(CH₃)3 作用下， 以 苯 为溶剂， 生成 [N(o-C6H4PCy2)2]NiPh
  参考文献：
  名称：

  Intermolecular Arene C−H Activation by Nickel(II)

  摘要：

  Intermolecular arene C-H activation mediated by a divalent nickel species under extremely mild conditions is described. The reactions of either Ni(COD)2 with H[N(o-C6H4PR2)2] (H[R-PNP]; R = iPr, Cy) in benzene at room temperature or [R-PNP]NiCl with LiBHEt3 in THF at -35 degrees C produced the corresponding [R-PNP]NiH in high yield. Addition of 1 equiv of B(C6F5)3 to a benzene solution of [R-PNP]NiH at room temperature led to the formation of a mixture that contains [R-PNP]NiPh and [R-PNP]Ni(C6F5), both of which are proposed to evolve from zwitterionic [R-PNP]Ni(mu-H)B(C6F5)3. In contrast, the reaction of [R-PNP]NiH with AlMe3 in benzene at room temperature afforded exclusively the corresponding [R-PNP]NiPh. Similar results were also observed for intermolecular toluene and m-xylene C-H activation by [R-PNP]NiH. A parallel study involving [R-PNP]NiMe (R = Ph, iPr, Cy) on the reactivity of intermolecular arene activation reveals the significance of pi basicity of Ni(II) in these molecules. The remarkable reactivity of inexpensive Ni(II) species established in this study is attractive, particularly from an economic viewpoint, as compared to the current alternatives of 4d and 5d metals.

  DOI：

  10.1021/ja065505p

文献信息

• LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION
  申请人：LIANG Lan-Chang

  公开号：US20090163740A1

  公开（公告）日：2009-06-25

  The present invention provides a family of novel and stable ligands which chelate with a metal to form a complex. The ligand contains a t-butyl group or a ring, particularly a substituted aromatic group, linked to a nitrogen atom. The nitrogen atom further links to PR 1 R 2 , PR 1 R 2 R 9 , P(═O)R 1 R 2 , NR 1 R 2 , OR 1 , SR 1 , or AsR 1 R 2 group with a saturated or unsaturated hydrocarbon such that the structure of the ligand can be stabilized.

  本发明提供了一系列新颖且稳定的配体，这些配体与金属螯合形成复合物。该配体含有t-丁基基团或环，特别是取代芳基团，与氮原子连接。氮原子进一步与PR1R2、PR1R2R9、P(═O)R1R2、NR1R2、OR1、SR1或AsR1R2基团链接，带有饱和或不饱和的碳氢化合物，从而使配体的结构得以稳定。
• NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE
  申请人：PAWLOW James H.

  公开号：US20100093920A1

  公开（公告）日：2010-04-15

  Embodiments relate to a novel catalyst composition comprising a transition metal-containing compound, a PNP compound, an alkylating agent and a fluorine containing compound. Other embodiments relate to a method of polymerizing a diene monomer in the presence of the novel composition to form a diene-containing polymer having greater than 90% cis content.
• US8436111B2
  申请人：——

  公开号：US8436111B2

  公开（公告）日：2013-05-07
• Intermolecular Arene C−H Activation by Nickel(II)
  作者：Lan-Chang Liang、Pin-Shu Chien、Yu-Lun Huang

  DOI：10.1021/ja065505p

  日期：2006.12.1

  Intermolecular arene C-H activation mediated by a divalent nickel species under extremely mild conditions is described. The reactions of either Ni(COD)2 with H[N(o-C6H4PR2)2] (H[R-PNP]; R = iPr, Cy) in benzene at room temperature or [R-PNP]NiCl with LiBHEt3 in THF at -35 degrees C produced the corresponding [R-PNP]NiH in high yield. Addition of 1 equiv of B(C6F5)3 to a benzene solution of [R-PNP]NiH at room temperature led to the formation of a mixture that contains [R-PNP]NiPh and [R-PNP]Ni(C6F5), both of which are proposed to evolve from zwitterionic [R-PNP]Ni(mu-H)B(C6F5)3. In contrast, the reaction of [R-PNP]NiH with AlMe3 in benzene at room temperature afforded exclusively the corresponding [R-PNP]NiPh. Similar results were also observed for intermolecular toluene and m-xylene C-H activation by [R-PNP]NiH. A parallel study involving [R-PNP]NiMe (R = Ph, iPr, Cy) on the reactivity of intermolecular arene activation reveals the significance of pi basicity of Ni(II) in these molecules. The remarkable reactivity of inexpensive Ni(II) species established in this study is attractive, particularly from an economic viewpoint, as compared to the current alternatives of 4d and 5d metals.