[Pd(1,2-bis(dicyclohexylphosphino)ethane)2(S2PEt2)](S2PEt2) | 171566-04-4

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: [Pd(1,2-bis(dicyclohexylphosphino)ethane)2(S2PEt2)](S2PEt2)
• 英文别名: dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane;diethyl-sulfanylidene-sulfido-λ5-phosphane;palladium(2+)
• CAS: 171566-04-4
• 化学式: C₄H₁₀PS₂*C₃₀H₅₈P₃PdS₂
• 分子量: 835.493
• InChiKey: VHBVDMFPYANTRL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  13.21
• 重原子数：
  43.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  Pd(C2O4)(1,2-bis(dicyclohexylphosphino)ethane) 以 甲苯 、 乙腈 为溶剂， 生成 [Pd(1,2-bis(dicyclohexylphosphino)ethane)2(S2PEt2)](S2PEt2)
  参考文献：
  名称：

  Cleavage of Bis(thiophosphinyl)disulfanes, R2P(S)SSP(S)R2 (R = Et, Ph), by a Low-Valent Palladium Dimer

  摘要：

  The reaction of Pd-2(mu-dcpe)(2) (dcpe = 1,2-bis(dicyclohexylphosphino)ethane) with the bis(thiophosphinyl)disulfanes, R(2)P(S)SSP(S)PR(2) (R = Et, Ph), give the ionic complexes [(dcpe)Pd(SPR(2)S)](+)[SPR(2)S](-) in 60% (1; R = Et) and 72% (2; R = Ph) yields. An unusual dimer, {(Et(2)PS(2))Pd}(2)(mu-Et(2)PS(2))(2), is also isolated in low yield for R = Et. The X-ray structure of a benzene solvate of 1 (C50H68P4S4Pd . 1.5C(6)H(6); monoclinic, a = 14.628(1) Angstrom, b = 16.662(3) Angstrom, c = 21.612(4) Angstrom, beta = 107.66(1), P2(1)/n, Z = 4, R = 0.047(F-0), R(w) = 0.056(F-0)) shows a nearly planar spirocyclic palladium atom in the cation and a free SPR(2)S(-) anion, Variable-temperature P-31 NMR spectra of 1 indicate rapid interchange of the coordinated and free SPR(2)S(-) counterion in solution at room temperature.

  DOI：

  10.1021/ic00128a027