rac-[(Me2P(BH3))(Me3Si)CH]2Sn | 1189780-29-7

• 英文名称: rac-[(Me2P(BH3))(Me3Si)CH]2Sn
• 英文别名: 2,2,6,6-tetramethyl-3,5-bis(trimethylsilyl)-2l5,6l5-diphospha-4l2-stanna-1l4,7l4-diboraheptane
• CAS: 1189780-29-7
• 化学式: C₁₂H₃₈B₂P₂Si₂Sn
• 分子量: 440.884
• InChiKey: HDGQKPGUKXSVCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  rac-[(Me2P(BH3))(Me3Si)CH]2Sn 以 not given 为溶剂， 生成 tin
  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：

  正丁基锂 、 双(环戊二烯基)锡(II) 、 Me2P(BH3)CH2SiMe3 以 甲苯 为溶剂， 以94%的产率得到rac-[(Me2P(BH3))(Me3Si)CH]2Sn
  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

文献信息

• Oxidation reactions of a phosphine-borane-stabilised dialkylstannylene
  作者：Corinne Wills、Keith Izod、William Clegg、Ross W. Harrington

  DOI：10.1039/b922507b

  日期：——

  The acyclic dialkylstannylene [(Me3Si)Me2P(BH3)}CH]2Sn (7) reacts with any of methyl iodide, neopentyl iodide or benzyl bromide to yield the corresponding oxidative addition products [(Me3Si)Me2P(BH3)}CH]2Sn(Me)(I) (8), [(Me3Si)Me2P(BH3)}CH]2Sn(CH2CMe3)(I) (9), and [(Me3Si)Me2P(BH3)}CH]2Sn(CH2Ph)(Br) (10), respectively. The crystal structures of 8, 9, and 10 reveal that there are no close B–H⋯Sn contacts. In addition, 7 reacts with benzil or elemental sulfur to yield [Me2P(BH3)}(Me3Si)CH]2Sn(OCPhCPhO) (11) and [Me2P(BH3)}(Me3Si)CH]2Sn(S) (12), respectively, as confirmed by multinuclear NMR spectroscopy and elemental analysis.

  无环二烷基亚锡[(Me3Si)Me2P(BH3)}CH]2Sn (7)与甲基碘、新戊基碘或苄基溴中的任何一种发生反应，生成相应的氧化加成产物[(Me3Si)Me2P( )}CH]2Sn(Me)(I) (8)、(Me3Si)Me2P( )}CH]2Sn(CH2CMe3)(I)(9)和[(Me3Si)Me2P( )}CH]2Sn(CH2Ph)(Br)(10)。8、9 和 10 的晶体结构显示，它们不存在紧密的 B-H⋯Sn 接触。此外，经多核核磁共振波谱和元素分析证实，7 与苯齐尔或元素硫反应分别生成 [Me2P( )}(Me3Si)CH]2Sn(OCPhCPhO) (11) 和 [Me2P( )}(Me3Si)CH]2Sn(S) (12)。