[HC(3,5-dimethylpyrazolyl)3]Li(η(3)-BH4) | 199595-14-7

• 英文名称: [HC(3,5-dimethylpyrazolyl)3]Li(η(3)-BH4)
• CAS: 199595-14-7
• 化学式: C₁₆H₂₆BLiN₆
• 分子量: 320.175
• InChiKey: LTDSSOPKHVITQV-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

• 作为产物：
  描述：

  锂硼氢 、 三(3,5-二甲基-1-吡唑基)甲烷 以 四氢呋喃 为溶剂， 以69%的产率得到[HC(3,5-dimethylpyrazolyl)3]Li(η(3)-BH4)
  参考文献：
  名称：

  Stabilization of Lithium Borohydride with Nitrogen Donor, Chelating Ligands. Syntheses and Solid State Structures of [HC(3,5-Me₂pz)₃]Li(η³-BH₄), {[H₂C(3,5-Me₂pz)₂]Li(μ-η³-BH₄)}₂, and {[4,4‘-Me₂bipy]Li(μ-η³-BH₄)}₂ (pz = pyrazolyl, bipy = bipyridyl)

  摘要：

  The reaction of HC(3,5-Me(2)pz)(3) and LiBH4 in THF yields [HC(3,5-Me(2)pz)(3)]Li(eta(3)-BH4) (pz = pyrazolyl). In the solid state, the borohydride ligand is tridentate with an octahedral arrangement about the lithium. A similar reaction using HC(pz)(3) yields the insoluble ionic compound {[HC(pz)(3)](2)Li}(BH4). Reaction of equimolar amounts of LiBH4 and H2C(3,5-Me(2)pz)(2) yields {[H2C(3,5-Me(2)pz)(2)]Li(mu-eta(3)-BP4)}(2). This complex is a centrosymmetric dimer in the solid state having two bridging [eta(3)-BH4](-) ligands. For each [eta(3)-BH4](-) ligand, there is one mu(3)-H and two mu(2)-H atoms. A similar reaction with H2C(pz)(2) yields {[H2C(pz)(2)]Li(BH4)}(2) and with 4,4'-dimethyl-2,2'-bipyridine (4,4'-Me(2)bipy) yields {[4,4'-Me(2)bipy]Li(mu-eta(3)-BH4)}(2). The structure of {[4,4'-Me(2)bipy]Li(mu-eta(3)-BH4)}(2) in the solid state is similar to that of {[H2C(3,5-Me(2)pz)(2)]Li(mu-eta(3)-BH4)}(2), except the Li2B2 central core is not planar and both mu(3)-H atoms are on the same side of this core.

  DOI：

  10.1021/ic970815h