ethoxymethanedithioate;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+);tetrabutylazanium | 166988-21-2

• 分子结构分类: 有机化合物 - 有机卤素化合物
• 英文名称: ethoxymethanedithioate;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+);tetrabutylazanium
• CAS: 166988-21-2
• 化学式: C₁₅H₅F₁₀OPtS₂*C₁₆H₃₆N
• 分子量: 892.869
• InChiKey: JNNCTVZDMCAQCV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.22
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  ethoxymethanedithioate;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+);tetrabutylazanium 、 三苯基膦 以 丙酮 为溶剂， 以90%的产率得到ethoxymethanedithioate;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+);tetrabutylazanium;triphenylphosphane
  参考文献：
  名称：

  Pentahalophenyl ethylxante complexes of platinum(II). Structures of (NBu4)[Pt(C6F5)2(S2COEt)] and (NBu4)2{Pt4(C6F5)8[(μ[in3]-S)SCOEt]2}. Unprecedented coordination of the xanthate ligands in the tetranuclear complex

  摘要：

  Novel anionic xanthate complexes of platinum(II) with the xanthate ligands displaying different coordination modes have been prepared: (a) mononuclear complexes (NBu(4))[Pt(C(6)X(5))(2)(S(2)COEt)] (X = F (1) or Cl (2)), where the xanthate ligand acts as a chelate; (b) mononuclear complexes (NBu(4))[Pt(C(6)X(5))(2)(SC(S)OEt)PPh(3)] (X = F (3) or Cl (4)) containing monodentate SC(S)OEt ligands; and (c) tetranuclear complexes (NBu(4))(2){Pt-4(C(6)X(5))(8)[(mu(3)-S)SCOEt](2)} (X = F (5) or Cl (6)), where one of the S atoms bridges three platinum centres, an unprecedented bonding mode for the xanthate ligand. The structures of complexes 1 and 5 have been established by single crystal X-ray diffraction. Compound 1 is triclinic, space group P (1) over bar, with a = 9.472(1), b = 11.005(2), c = 18.561(2) Angstrom, alpha = 75.90(1), beta = 81.23(1), gamma = 75.99(1)degrees, V = 1811.7(4) Angstrom(3) and Z = 2. The structure was refined to residuals of R = 0.0299 and R(w) = 0.0419. Complex 5 is also triclinic, space group P (1) over bar, with a = 11.121(1), b = 15.184(1), c = 16.722(1) Angstrom, alpha = 64.17(1), beta = 80.56(1), gamma = 88.41(1)degrees, V = 2504(1) Angstrom(3) and Z = 1. The structure was refined to residuals of R = 0.0409 and R(w) = 0.0417.

  DOI：

  10.1016/0020-1693(94)04343-t
• 作为产物：
  描述：

  (NBu4)2[Pt2(μ-Cl)2(C6F5)4] 、 potassium ethyl xanthogenate 以 二氯甲烷 、 水 为溶剂， 以83%的产率得到ethoxymethanedithioate;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+);tetrabutylazanium
  参考文献：
  名称：

  Pentahalophenyl ethylxante complexes of platinum(II). Structures of (NBu4)[Pt(C6F5)2(S2COEt)] and (NBu4)2{Pt4(C6F5)8[(μ[in3]-S)SCOEt]2}. Unprecedented coordination of the xanthate ligands in the tetranuclear complex

  摘要：

  Novel anionic xanthate complexes of platinum(II) with the xanthate ligands displaying different coordination modes have been prepared: (a) mononuclear complexes (NBu(4))[Pt(C(6)X(5))(2)(S(2)COEt)] (X = F (1) or Cl (2)), where the xanthate ligand acts as a chelate; (b) mononuclear complexes (NBu(4))[Pt(C(6)X(5))(2)(SC(S)OEt)PPh(3)] (X = F (3) or Cl (4)) containing monodentate SC(S)OEt ligands; and (c) tetranuclear complexes (NBu(4))(2){Pt-4(C(6)X(5))(8)[(mu(3)-S)SCOEt](2)} (X = F (5) or Cl (6)), where one of the S atoms bridges three platinum centres, an unprecedented bonding mode for the xanthate ligand. The structures of complexes 1 and 5 have been established by single crystal X-ray diffraction. Compound 1 is triclinic, space group P (1) over bar, with a = 9.472(1), b = 11.005(2), c = 18.561(2) Angstrom, alpha = 75.90(1), beta = 81.23(1), gamma = 75.99(1)degrees, V = 1811.7(4) Angstrom(3) and Z = 2. The structure was refined to residuals of R = 0.0299 and R(w) = 0.0419. Complex 5 is also triclinic, space group P (1) over bar, with a = 11.121(1), b = 15.184(1), c = 16.722(1) Angstrom, alpha = 64.17(1), beta = 80.56(1), gamma = 88.41(1)degrees, V = 2504(1) Angstrom(3) and Z = 1. The structure was refined to residuals of R = 0.0409 and R(w) = 0.0417.

  DOI：

  10.1016/0020-1693(94)04343-t