[(Pt2(μ3-S)2(1,5-cyclooctadiene)(C8H11))Pt(1,3-bis(diphenylphosphino)propane)]Cl | 702685-80-1

• 英文名称: [(Pt2(μ3-S)2(1,5-cyclooctadiene)(C8H11))Pt(1,3-bis(diphenylphosphino)propane)]Cl
• CAS: 702685-80-1
• 化学式: C₄₃H₄₉P₂Pt₃S₂*Cl
• 分子量: 1312.63
• InChiKey: UIZQVYSCIFSBGF-RKPVKBAXSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(Pt2(μ3-S)2(1,5-cyclooctadiene)(C8H11))Pt(1,3-bis(diphenylphosphino)propane)]Cl 在 NaMeO 作用下， 以 甲醇 、 苯 为溶剂， 以31%的产率得到[(Pt2(μ3-S)2(C8H11)2)Pt(1,3-bis(diphenylphosphino)propane)]
  参考文献：
  名称：

  Unusual C−H Allylic Activation in the {Pt^II(cod)} Fragment Bonded to a {Pt₂(μ-S)₂} Core

  摘要：

  Complexes [{Pt-2(mu(3)-S)(2)(dppp)(2)}Pt(cod)]Cl-2 (1) and [{Pt-2(mu(3)-S)(2)(cod)(2)}Pt(dppp)]Cl-2 (3), where dppp = 1,3-bis(diphenylphosphino)propane and cod = 1,5-cyclooctadiene, have been synthesized by reacting [Pt-2(mu-S)(2)(dppp)(2)] and [PtCl2(cod)] (1:1), and [Pt(SH)(2)(dppp)] and [PtCl2(cod)] (1:2), respectively. Complex I has not allowed substitution of cod by the chelating dppp ligand. Remarkably, the reaction of I with methoxide anion yields [{Pt-2(mu(3)-S)(2)(dppp)(2)}Pt(C8H11)]Cl (2), which entails deprotonation of cod instead of the nucleophilic attack of CH3O- on the olefinic bond. In addition, replacement of the deprotonated cod ligand in 2 by dppp has not been achieved. A combination of experimental data and DFT calculations in 2 is consistent with the binding of C8H11- to platinum(II) by means of one eta(2)-alkene and one eta(1)-allyl bond. The structures of 1 and 2 have been confirmed by single-crystal X-ray diffraction. Analogous to 1, the reaction of 3 with sodium methoxide causes the subsequent deprotonation of the two cod ligands, yielding [{Pt-2(mu(3)-S)(2)(cod)(C8H11)}Pt(dppp)] Cl (4) and [{Pt-2(mu(3)-S)(2)(C8H11)(2)}Pt(dppp)] (5). In contrast to 1, replacement of cod by dppp in 3 and 4 leads to 1 and 2, respectively. Also, the substitution of one C8H11- ligand by dppp in 5 leads to 2. On the basis of DFT calculations, with inclusion of solvent effects, the factors governing the chemical behavior of the {Pt(cod)}(2+) fragment bonded to a [Pt-2(mu-S)(2)L-4] (L-2 = dppp, cod, or C8H11-) metalloligand are discussed.

  DOI：

  10.1021/om034312x
• 作为产物：
  描述：

  [(Pt2(μ3-S)2(1,5-cyclooctadiene)2)Pt(1,3-bis(diphenylphosphino)propane)]Cl2 在 NaMeO 作用下， 以 甲醇 、 苯 为溶剂， 以28%的产率得到[(Pt2(μ3-S)2(1,5-cyclooctadiene)(C8H11))Pt(1,3-bis(diphenylphosphino)propane)]Cl
  参考文献：
  名称：

  Unusual C−H Allylic Activation in the {Pt^II(cod)} Fragment Bonded to a {Pt₂(μ-S)₂} Core

  摘要：

  Complexes [{Pt-2(mu(3)-S)(2)(dppp)(2)}Pt(cod)]Cl-2 (1) and [{Pt-2(mu(3)-S)(2)(cod)(2)}Pt(dppp)]Cl-2 (3), where dppp = 1,3-bis(diphenylphosphino)propane and cod = 1,5-cyclooctadiene, have been synthesized by reacting [Pt-2(mu-S)(2)(dppp)(2)] and [PtCl2(cod)] (1:1), and [Pt(SH)(2)(dppp)] and [PtCl2(cod)] (1:2), respectively. Complex I has not allowed substitution of cod by the chelating dppp ligand. Remarkably, the reaction of I with methoxide anion yields [{Pt-2(mu(3)-S)(2)(dppp)(2)}Pt(C8H11)]Cl (2), which entails deprotonation of cod instead of the nucleophilic attack of CH3O- on the olefinic bond. In addition, replacement of the deprotonated cod ligand in 2 by dppp has not been achieved. A combination of experimental data and DFT calculations in 2 is consistent with the binding of C8H11- to platinum(II) by means of one eta(2)-alkene and one eta(1)-allyl bond. The structures of 1 and 2 have been confirmed by single-crystal X-ray diffraction. Analogous to 1, the reaction of 3 with sodium methoxide causes the subsequent deprotonation of the two cod ligands, yielding [{Pt-2(mu(3)-S)(2)(cod)(C8H11)}Pt(dppp)] Cl (4) and [{Pt-2(mu(3)-S)(2)(C8H11)(2)}Pt(dppp)] (5). In contrast to 1, replacement of cod by dppp in 3 and 4 leads to 1 and 2, respectively. Also, the substitution of one C8H11- ligand by dppp in 5 leads to 2. On the basis of DFT calculations, with inclusion of solvent effects, the factors governing the chemical behavior of the {Pt(cod)}(2+) fragment bonded to a [Pt-2(mu-S)(2)L-4] (L-2 = dppp, cod, or C8H11-) metalloligand are discussed.

  DOI：

  10.1021/om034312x