[(Et2PCH2CH2PEt2)Pt(H)(1-(dimethylsilyl)-2-silylbenzene(-3H))]2 | 871328-45-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [(Et2PCH2CH2PEt2)Pt(H)(1-(dimethylsilyl)-2-silylbenzene(-3H))]2
• 英文别名: [(depe)Pt(H)(1-(dimethylsilyl)-2-silylbenzene(-3H))]2
• CAS: 871328-45-9
• 化学式: C₃₆H₇₂P₄Pt₂Si₄
• 分子量: 1131.36
• InChiKey: YCDPISMWYAHUED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.87
• 重原子数：
  46.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  [(Et2PCH2CH2PEt2)Pt(H)(1-(dimethylsilyl)-2-silylbenzene(-3H))]2 以 氘代四氢呋喃 为溶剂， 生成 [(Et2PCH2CH2PEt2)Pt(1-(dimethylsilyl)-2-silylbenzene(-2H))]
  参考文献：
  名称：

  Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes

  摘要：

  Reaction of 1,2-C6H4(SiMe2H)(SiH3) (8) with Pt(dmpe)(PEt3)(2) (dmpe = Me2PCH2CH2PMe2) or Pt(dmpe)(2) in 1:1 ratio at room temperature gave {1,2-C6H4(SiMe2)(SiH2)}Pt-II(dmpe) (11a) as a major product in solution. Complex 11a can easily dimerize to form [(dmpe)Pt-IV(H)-{ 1,2-C6H4(SiMe2)(mu-SiH}](2) (12a), and 11a and 12a are in equilibrium in solution. Although monomer 11a is a major species in solution, only dimer 12a crystallized out from toluene, THF, or DMF solution. Addition of excess dmpe to a toluene solution of 11a/12a trapped the Pt-II species as a pentacoordinated dimer [{1,2-C6H4(SiMe2)(SiH2)}Pt-II(dmpe)](2)( mu-dmpe) (13). A similar reaction took place between 8 and Pt(depe)(PEt3)(2) (depe = Et2PCH2CH2PEt2) or Pt(depe)(2) to give {1,2-C6H4(SiMe2)(SiH2)Pt-II(depe) (11b) and [(depe)Pt-IV(H){1,2C(6)H(4)(SiMe2)(mu-SiH)}](2) (12b), and 11b, and 12b are in equilibrium in solution. Two equivalents of 8 reacted with Pt(dmpe)(PEt3)2 in toluene at room temperature to afford two isomeric {1,2-C6H4(SiMe2H)(SiH2)}{1,2-C6H4(SiMe2)(SiH2)}(H)Pt-IV(dmpe) complexes 16 and 17 in 5:3 ratio among eight possible isomers. Heating the mixture of 16 and 17 at 100 degrees C in toluene resulted in slow intramolecular dehydrogenative cyclization to afford a mixture of isomeric {1,2-C6H4(SiMe2)(SiH2)}(2)Pt-IV(dmpe) 18 and 19. The structures of complexes 12a, 12b, 13, 17, 18, and 19 were unambiguously determined by single-crystal X-ray analysis.

  DOI：

  10.1021/om050498j
• 作为产物：
  描述：

  [Pt(1,2-bis(diethylphosphino)ethane)₂] 、 1-(dimethylsilyl)-2-silylbenzene 以 苯 为溶剂， 生成 [(Et2PCH2CH2PEt2)Pt(1-(dimethylsilyl)-2-silylbenzene(-2H))] 、 [(Et2PCH2CH2PEt2)Pt(H)(1-(dimethylsilyl)-2-silylbenzene(-3H))]2
  参考文献：
  名称：

  Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes

  摘要：

  Reaction of 1,2-C6H4(SiMe2H)(SiH3) (8) with Pt(dmpe)(PEt3)(2) (dmpe = Me2PCH2CH2PMe2) or Pt(dmpe)(2) in 1:1 ratio at room temperature gave {1,2-C6H4(SiMe2)(SiH2)}Pt-II(dmpe) (11a) as a major product in solution. Complex 11a can easily dimerize to form [(dmpe)Pt-IV(H)-{ 1,2-C6H4(SiMe2)(mu-SiH}](2) (12a), and 11a and 12a are in equilibrium in solution. Although monomer 11a is a major species in solution, only dimer 12a crystallized out from toluene, THF, or DMF solution. Addition of excess dmpe to a toluene solution of 11a/12a trapped the Pt-II species as a pentacoordinated dimer [{1,2-C6H4(SiMe2)(SiH2)}Pt-II(dmpe)](2)( mu-dmpe) (13). A similar reaction took place between 8 and Pt(depe)(PEt3)(2) (depe = Et2PCH2CH2PEt2) or Pt(depe)(2) to give {1,2-C6H4(SiMe2)(SiH2)Pt-II(depe) (11b) and [(depe)Pt-IV(H){1,2C(6)H(4)(SiMe2)(mu-SiH)}](2) (12b), and 11b, and 12b are in equilibrium in solution. Two equivalents of 8 reacted with Pt(dmpe)(PEt3)2 in toluene at room temperature to afford two isomeric {1,2-C6H4(SiMe2H)(SiH2)}{1,2-C6H4(SiMe2)(SiH2)}(H)Pt-IV(dmpe) complexes 16 and 17 in 5:3 ratio among eight possible isomers. Heating the mixture of 16 and 17 at 100 degrees C in toluene resulted in slow intramolecular dehydrogenative cyclization to afford a mixture of isomeric {1,2-C6H4(SiMe2)(SiH2)}(2)Pt-IV(dmpe) 18 and 19. The structures of complexes 12a, 12b, 13, 17, 18, and 19 were unambiguously determined by single-crystal X-ray analysis.

  DOI：

  10.1021/om050498j