[((n-propyl)2P(BH3))(Me3Si)C(CH2)]2Pb | 1053241-64-7

• 英文名称: [((n-propyl)2P(BH3))(Me3Si)C(CH2)]2Pb
• CAS: 1053241-64-7；1053241-63-6
• 化学式: C₂₂H₅₆B₂P₂PbSi₂
• 分子量: 667.627
• InChiKey: MCXBPSXQKXWWFT-UHFFFAOYSA-N

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：

  [((n-propyl)2P(BH3))(Me3Si)C(CH2)]2Pb 以 neat (no solvent, solid phase) 为溶剂， 生成 lead
  参考文献：
  名称：

  Agostic-Type B−H···Pb Interactions Stabilize a Dialkylplumbylene. Structure of and Bonding in [{nPr₂P(BH₃)}(Me₃Si)C(CH₂)]₂Pb

  摘要：

  The reaction between Cp2Pb and 1 equiv of [[{nPr(2)P(BH3)}(Me3Si)C(CH2)]Li(THF)(2)](2) in toluene affords the dialkylplumbylene [(nPr(2)P(BH3))(Me3Si)C(CH2)](2)Pb (10) in excellent yield; compound 10 may readily be separated into its two diastereomeric forms by a simple crystallization procedure. X-ray crystallography shows that rac- and meso-10 crystallize as discrete dialkylpluinbylenes in which there are either two (rac-10) or one (meso-10) short agostic-type B-H...Pb contacts; for meso-10 there is a secondary, weak B-H...Pb contact, which affords this diastereomer a further, weak stabilization. Multielement and variable-temperature NMR studies indicate that, while rac-10 is essentially static in solution, meso-10 undergoes dynamic exchange between the free and bound BH3 groups. Unusually, the methylene backbone protons in both diastereomers (at low temperature for meso-10) lie within the range 2.5-6.5 ppm, possibly due to the close proximity of the 6s lone pair on the lead center. DFT studies indicate that there is significant delocalization of B-H a-bonding electron density into the vacant lead 6p orbital, furnishing an overall stabilization of 40.6 and 30.3 kcal mol(-1) for rac- and meso-10, respectively.

  DOI：

  10.1021/om800598b
• 作为产物：
  描述：

  [((n-propyl)2P(BH3))(Me3Si)C(CH2)]2Li2(THF)4 、 Pb(OC6H2-2,6-(tert-butyl)2-4-Me)2 以 not given 为溶剂， 生成 [((n-propyl)2P(BH3))(Me3Si)C(CH2)]2Pb
  参考文献：
  名称：

  Agostic-Type B−H···Pb Interactions Stabilize a Dialkylplumbylene. Structure of and Bonding in [{nPr₂P(BH₃)}(Me₃Si)C(CH₂)]₂Pb

  摘要：

  The reaction between Cp2Pb and 1 equiv of [[{nPr(2)P(BH3)}(Me3Si)C(CH2)]Li(THF)(2)](2) in toluene affords the dialkylplumbylene [(nPr(2)P(BH3))(Me3Si)C(CH2)](2)Pb (10) in excellent yield; compound 10 may readily be separated into its two diastereomeric forms by a simple crystallization procedure. X-ray crystallography shows that rac- and meso-10 crystallize as discrete dialkylpluinbylenes in which there are either two (rac-10) or one (meso-10) short agostic-type B-H...Pb contacts; for meso-10 there is a secondary, weak B-H...Pb contact, which affords this diastereomer a further, weak stabilization. Multielement and variable-temperature NMR studies indicate that, while rac-10 is essentially static in solution, meso-10 undergoes dynamic exchange between the free and bound BH3 groups. Unusually, the methylene backbone protons in both diastereomers (at low temperature for meso-10) lie within the range 2.5-6.5 ppm, possibly due to the close proximity of the 6s lone pair on the lead center. DFT studies indicate that there is significant delocalization of B-H a-bonding electron density into the vacant lead 6p orbital, furnishing an overall stabilization of 40.6 and 30.3 kcal mol(-1) for rac- and meso-10, respectively.

  DOI：

  10.1021/om800598b