boraneyl((dimethyl(phenyl)silyl)methyl)dimethyl-l5-phosphane | 1189780-31-1

• 英文名称: boraneyl((dimethyl(phenyl)silyl)methyl)dimethyl-l5-phosphane
• CAS: 1189780-31-1
• 化学式: C₁₁H₂₂BPSi
• 分子量: 224.166
• InChiKey: YTHJIVQGOUGWKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• 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：

  正丁基锂 、 plumbocene 、 boraneyl((dimethyl(phenyl)silyl)methyl)dimethyl-l5-phosphane 以 甲苯 为溶剂， 以72%的产率得到rac-[(Me2P(BH3))(Me2PhSi)CH]2Pb
  参考文献：
  名称：

  Acyclic Dialkylstannylene and -Plumbylene Compounds That Are Monomeric in the Solid State

  摘要：

  The new phosphine-borane adduct (Me2PhSi)CH2P(BH3)Me-2 is prepared by the reaction between Me2PhSiCl and in situ-gencrated Me2P(BH3)CH2Li; the adduct undergoes clean deprotonation on treatment with n-BuLi to give the phosphine-borane-stabilized carbanion complex [(Me2PhSi)-{Me2P(BH3)}CH]Li. The reaction between 2 equiv of [(Me2PhSi){Me2P(BH3)}CH]Li and either CP2Sn or CP2Pb gives the acyclic dialkylstannylene and -plumbylene compounds rac-[(Me2PhSi)-{Me2P(BH3))CH](2)E [E = Sn (13), Pb (14)]. Similarly, the reaction between 2 equiv Of [(Me3Si)-{Me2P(BH3)}CH]Li and either CP2Sn or CP2Pb yields rac-[(Me3Si){Me2P(BH3)}CH](2)E [E = Sn (15), Pb (16)]. X-ray crystallography reveals that compounds 13-16 crystallize as discrete monomers that are stabilized by two agostic-type B-H center dot center dot center dot E contacts in each case; multielement NMR spectroscopy and UV/visible spectroscopy indicate that these agostic-type contacts are preserved in solution. DFT calculations reveal that these B-H... E contacts stabilize compounds 13-16 by between 38.0 and 43.7 kcal mol(-1). Calculations suggest that the dimerization of 15, which is isoelectronic with the archetypal dialkylstannylene {(Me3Si)(2)CH}(2)Sn, to the corresponding distannene [(Me3Si){Me2P(BH3)}CH](2)Sn=Sn[CH{P(BH3)Me-2}(SiMe3)](2) (15(2)) is disfavored by some 30.5 kcal mol(-1.)

  DOI：

  10.1021/om900614q
• 作为产物：
  描述：

  trimethylphosphine-borane 、 苯基二甲基氯硅烷 在 n-C₄H₉Li 作用下， 以 四氢呋喃 为溶剂， 以54%的产率得到boraneyl((dimethyl(phenyl)silyl)methyl)dimethyl-l5-phosphane
  参考文献：
  名称：

  Acyclic Dialkylstannylene and -Plumbylene Compounds That Are Monomeric in the Solid State

  摘要：

  The new phosphine-borane adduct (Me2PhSi)CH2P(BH3)Me-2 is prepared by the reaction between Me2PhSiCl and in situ-gencrated Me2P(BH3)CH2Li; the adduct undergoes clean deprotonation on treatment with n-BuLi to give the phosphine-borane-stabilized carbanion complex [(Me2PhSi)-{Me2P(BH3)}CH]Li. The reaction between 2 equiv of [(Me2PhSi){Me2P(BH3)}CH]Li and either CP2Sn or CP2Pb gives the acyclic dialkylstannylene and -plumbylene compounds rac-[(Me2PhSi)-{Me2P(BH3))CH](2)E [E = Sn (13), Pb (14)]. Similarly, the reaction between 2 equiv Of [(Me3Si)-{Me2P(BH3)}CH]Li and either CP2Sn or CP2Pb yields rac-[(Me3Si){Me2P(BH3)}CH](2)E [E = Sn (15), Pb (16)]. X-ray crystallography reveals that compounds 13-16 crystallize as discrete monomers that are stabilized by two agostic-type B-H center dot center dot center dot E contacts in each case; multielement NMR spectroscopy and UV/visible spectroscopy indicate that these agostic-type contacts are preserved in solution. DFT calculations reveal that these B-H... E contacts stabilize compounds 13-16 by between 38.0 and 43.7 kcal mol(-1). Calculations suggest that the dimerization of 15, which is isoelectronic with the archetypal dialkylstannylene {(Me3Si)(2)CH}(2)Sn, to the corresponding distannene [(Me3Si){Me2P(BH3)}CH](2)Sn=Sn[CH{P(BH3)Me-2}(SiMe3)](2) (15(2)) is disfavored by some 30.5 kcal mol(-1.)

  DOI：

  10.1021/om900614q