(κ3-hydridotris(3,5-diisopropyl-1-pyrazolyl)borate)Y(CH2SiMe3)(THF) | 1204325-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (κ3-hydridotris(3,5-diisopropyl-1-pyrazolyl)borate)Y(CH2SiMe3)(THF)
• 英文别名: (Tp(iPr2))Y(CH2SiMe3)2(THF)；methanidyl(trimethyl)silane;oxolane;tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide;yttrium(3+)
• CAS: 1204325-27-8
• 化学式: C₃₉H₇₆BN₆OSi₂Y
• 分子量: 800.96
• InChiKey: UCBKYBQPCYBWQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.87
• 重原子数：
  50
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (κ3-hydridotris(3,5-diisopropyl-1-pyrazolyl)borate)Y(CH2SiMe3)(THF) 、 氢气 以 pentane 为溶剂， 以86%的产率得到((κ3-hydridotris(3,5-diisopropyl-1-pyrazolyl)borate)Y)3(μ3-H)(μ2-H)5
  参考文献：
  名称：

  Synthesis and Reaction of [(Tp^iPr₂)LnH₂]₃ (Ln = Y, Lu) with CO: Trinuclear Cluster-Bound Propenolate en Route to Selective Formation of Propene

  摘要：

  The use of the Tp(iPr2) ligand led to the straightforward and high-yield synthesis of rare examples of trinuclear monoligand lanthanide dihydrides, [(Tp(2)(iPr))LnH(2)](3) (Ln = Y, Lu). The Y complex was found to mediate the hydrogenation and coupling of carbon monoxide with exclusive formation of propene via the intermediacy of a cluster-bound propenolate ligand.

  DOI：

  10.1021/ja905679k
• 作为产物：
  描述：

  bis(tetrahydrofuran)tris(trimethylsilylmethyl)yttrium(III) 、 Tp(iPr2)H 以 pentane 为溶剂， 以89%的产率得到(κ3-hydridotris(3,5-diisopropyl-1-pyrazolyl)borate)Y(CH2SiMe3)(THF)
  参考文献：
  名称：

  Synthesis and Reaction of [(Tp^iPr₂)LnH₂]₃ (Ln = Y, Lu) with CO: Trinuclear Cluster-Bound Propenolate en Route to Selective Formation of Propene

  摘要：

  The use of the Tp(iPr2) ligand led to the straightforward and high-yield synthesis of rare examples of trinuclear monoligand lanthanide dihydrides, [(Tp(2)(iPr))LnH(2)](3) (Ln = Y, Lu). The Y complex was found to mediate the hydrogenation and coupling of carbon monoxide with exclusive formation of propene via the intermediacy of a cluster-bound propenolate ligand.

  DOI：

  10.1021/ja905679k