[Pd(2,6-bis(2,5-diphenylphospholyl-1-methyl)pyridine)Cl][BF4] | 777069-46-2

• 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(2,6-bis(2,5-diphenylphospholyl-1-methyl)pyridine)Cl][BF4]
• 英文别名: 2,6-Bis[(2,5-diphenylphosphol-1-yl)methyl]pyridine;chloropalladium(1+);tetrafluoroborate
• CAS: 777069-46-2
• 化学式: BF₄*C₃₉H₃₁ClNP₂Pd
• 分子量: 804.307
• InChiKey: UGARSHRFFAANTA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  13.81
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 2,6-bis(2,5-diphenylphospholyl-1-methyl)pyridine 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 以95%的产率得到[Pd(2,6-bis(2,5-diphenylphospholyl-1-methyl)pyridine)Cl][BF4]
  参考文献：
  名称：

  Syntheses of a 2,6-bis-(methylphospholyl)pyridine ligand and its cationic Pd(II) and Ni(II) complexes – application in the palladium-catalyzed synthesis of arylboronic esters

  摘要：

  2,6-Bis(2,5-diphenylphospholyl-1-methyl)pyridine (2) was prepared from the reaction of 2,5-diphenylphospholide anion with 2,6-bis(chloromethyl)pyridine. The X-ray crystal structure of 2 was recorded. Reaction of 2 with [Pd(COD)Cl-2] in the presence of AgBF4 yields the cationic complex [Pd(2)Cl][BF4] (3). The analogous Ni complex [Ni(2)Br][BF4] (4) was prepared in a similar way by reacting ligand 2 with [NiBr2(DME)] in the presence of AgBF4 and its formulation was confirmed by an X-ray crystal structure study. Complex 3 efficiently catalyzes the coupling between pinacolborane and iodo and bromoarenes with good TON (up to 1 x 10(5) with iodo derivatives and 8.9 x 10(3) with bromo derivatives). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.035
• 作为试剂：
  描述：

  2-碘苯甲醚 、 频那醇硼烷 在 [Pd(2,6-bis(2,5-diphenylphospholyl-1-methyl)pyridine)Cl][BF4] (C₂H₅)3N 作用下， 以 1,4-二氧六环 为溶剂， 以85%的产率得到2-甲氧基苯基硼酸频哪醇酯
  参考文献：
  名称：

  Syntheses of a 2,6-bis-(methylphospholyl)pyridine ligand and its cationic Pd(II) and Ni(II) complexes – application in the palladium-catalyzed synthesis of arylboronic esters

  摘要：

  2,6-Bis(2,5-diphenylphospholyl-1-methyl)pyridine (2) was prepared from the reaction of 2,5-diphenylphospholide anion with 2,6-bis(chloromethyl)pyridine. The X-ray crystal structure of 2 was recorded. Reaction of 2 with [Pd(COD)Cl-2] in the presence of AgBF4 yields the cationic complex [Pd(2)Cl][BF4] (3). The analogous Ni complex [Ni(2)Br][BF4] (4) was prepared in a similar way by reacting ligand 2 with [NiBr2(DME)] in the presence of AgBF4 and its formulation was confirmed by an X-ray crystal structure study. Complex 3 efficiently catalyzes the coupling between pinacolborane and iodo and bromoarenes with good TON (up to 1 x 10(5) with iodo derivatives and 8.9 x 10(3) with bromo derivatives). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.035

文献信息

• Syntheses of a 2,6-bis-(methylphospholyl)pyridine ligand and its cationic Pd(II) and Ni(II) complexes – application in the palladium-catalyzed synthesis of arylboronic esters
  作者：Mohand Melaimi、Claire Thoumazet、Louis Ricard、Pascal Le Floch

  DOI：10.1016/j.jorganchem.2004.06.035

  日期：2004.9

  2,6-Bis(2,5-diphenylphospholyl-1-methyl)pyridine (2) was prepared from the reaction of 2,5-diphenylphospholide anion with 2,6-bis(chloromethyl)pyridine. The X-ray crystal structure of 2 was recorded. Reaction of 2 with [Pd(COD)Cl-2] in the presence of AgBF4 yields the cationic complex [Pd(2)Cl][BF4] (3). The analogous Ni complex [Ni(2)Br][BF4] (4) was prepared in a similar way by reacting ligand 2 with [NiBr2(DME)] in the presence of AgBF4 and its formulation was confirmed by an X-ray crystal structure study. Complex 3 efficiently catalyzes the coupling between pinacolborane and iodo and bromoarenes with good TON (up to 1 x 10(5) with iodo derivatives and 8.9 x 10(3) with bromo derivatives). (C) 2004 Elsevier B.V. All rights reserved.