bis(tetrahydrofuran-d8)[(6)Li]lithium diphenylphosphido-borane | 145130-18-3

• 英文名称: bis(tetrahydrofuran-d8)[(6)Li]lithium diphenylphosphido-borane
• CAS: 145130-18-3
• 化学式: C₂₀H₂₉BLiO₂P
• 分子量: 365.107
• InChiKey: FEVKDQFJFPDYPL-LACBDRLLSA-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

• 作为产物：
  描述：

  氘代四氢呋喃 、 [(6)Li]-n-butyllithium 、 diphenylphosphineborane 以 氘代四氢呋喃 为溶剂， 生成 bis(tetrahydrofuran-d8)[(6)Li]lithium diphenylphosphido-borane
  参考文献：
  名称：

  Ph₂P(BH₃)Li: From Ditopicity to Dual Reactivity

  摘要：

  A multinuclear NMR study shows that the deprotonation of diphenylphosphine-borane by n-BuLi in THF leads to a disolvated lithium phosphido-borane Ph2P(BH3)Li of which Li+ is connected to the hydrides on the boron and two THF molecules rather than to the phosphorus. This entity behaves as both a phosphination and a reducing agent, depending on the kinetic or thermodynamic control imposed to the reaction medium. Density functional theory computations show that H2P(BH3)Li exhibits a ditopic character (the lithium cation can be in the vicinity of the hydride or of the phosphorus). It explains its dual reactivity (H- or P-addition), both routes going through somewhat similar six-membered transition states with low activation barriers.

  DOI：

  10.1021/ja201760c