| 79534-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 79534-38-6
• 化学式: C₅₀H₄₄P₄Pd*2F₆P
• 分子量: 1165.14
• InChiKey: RLEJQPSRXMWACN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  62.0
• 可旋转键数：
  8.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 (bis(diphenylphosphino)methane)palladium(II) dichloride 在 (bismercaptoethanediazacyclooctane)nickel(II) 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以43%的产率得到
  参考文献：
  名称：

  Reactions of metallodithiolate ligand with palladium dichloride bearing monophosphine or diphosphine

  摘要：

  Reaction of metallodithiolate ligand Ni(bme-dach*) [bme-dach*=N,N'-bis(mercaptoethyl)-1,4-diazacyclohexane] with Pd[P(4-C6H4CH3)(3)](2)Cl-2 in the presence of NH4PF6 yielded a heterobimetallic complex {Ni(bme-dach*)Pd[P(4-C6H4CH3)(3)](2))}[PF6](2) (1) in 43% yield. However, reaction of Ni(bme-dach*) with Pd(dppm)Cl-2 [dppm = 1,1-bis(diphenylphosphino)methane] resulted in the formation of a mononuclear Pd complex [Pd(dppm)(2)][PF6](2) (2) via dissociation between Pd-P bonds. Moreover, reaction of Ni(bme-dach*) with Pd(dppv)Cl-2 [dppv = cis-1,2-bis(diphenylphosphino)ethylene] in the presence of NH4PF6 afforded an expected product [Ni(bme-dach*)Pd(dppv)]}[PF6](2) (3) in 80% yield as well as an unexpected product {Ni(bme-dach*)[Pd(dppv)Cl](2)}[PF6](2) (4) as a byproduct. The new complexes 1 and 3 were characterized by elemental analysis, H-1 NMR and P-31{H-1) NMR spectroscopy. In addition, the structures of the complexes 1-4 were confirmed by single crystal X-ray diffraction analysis. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.06.027

文献信息

• 4:1 Lewis base adducts of palladium bis(hexafluoroacetylacetonate). The structure of (4-ClC5H4N)4Pd(C5HF6O2)2
  作者：A. R. Siedle、L. H. Pignolet

  DOI：10.1021/ic00131a027

  日期：1982.1