Sr(κ3-N,N,H-Bp(iPr2))2(THF)2 | 1299486-36-4

• 英文名称: Sr(κ3-N,N,H-Bp(iPr2))2(THF)2
• 英文别名: Sr(κ3-N,N,H-bis(3,5-diisopropylpyrazolyl)borate)2(tetrahydrofuran)2
• CAS: 1299486-36-4
• 化学式: C₄₄H₈₀B₂N₈O₂Sr
• 分子量: 862.414
• InChiKey: QWCVLXGTIFKUEZ-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：

  strontium(II) iodide 、 四氢呋喃 、 K[H₂B{3,5-(i-Pr)₂pz}₂] 以 四氢呋喃 为溶剂， 以61%的产率得到Sr(κ3-N,N,H-Bp(iPr2))2(THF)2
  参考文献：
  名称：

  Synthesis, structural characterization, and properties of heavier alkaline earth complexes containing bis(pyrazolyl)borate or bis(3,5-diisopropylpyrazolyl)borate ligands

  摘要：

  Treatment of a solid mixture of KBH4 with six equivalents of 3,5-diisopropylpyrazole (iPr(2)pzH) at 180 degrees C afforded KTp(iPr2)(iPr(2)PzH)(3) in 53% yield. KBp(iPr2) was synthesized in 56% yield by treatment of a 1:2 M ratio of KBH4 and iPr(2)PzH in refluxing dimethylacetamide. Treatment of MI2 (M = Ca, Sr, Ba) with two equivalents of KBp or KBp(iPr2) in tetrahydrofuran afforded MBp(2)(THF)(2) (M = Ca, 64%, M = Sr, 81%), BaBp(2)(THF)(4) (32%), and M(BPiPr2)(2)(THF)(2) (M = Ca, 63%; M = Sr, 61%, M = Ba, 48%) as colorless crystalline solids upon workup. These complexes were characterized by spectral and analytical techniques and by X-ray crystal structure determinations of all complexes except KBiPr2. KTp(iPr2)(iPr(2)PzH)(3) contains one kappa(3)-N,N,N-Tp(iPr2) ligand and three kappa(1)-iPr(2)PzH ligands, with overall distorted octahedral geometry about the K ion. The iPr(2)PzH nitrogen-hydrogen bonds are engaged in intramolecular hydrogen bonding to the 2-nitrogen atoms of the Tp(iPr2) ligand. The solid state structures of MBp(2)(THF)(2), BaBp(2)(THF)(4), and M(Bp(iPr2))(2)(THF)(2) contain kappa(3)-N,N,H Bp and Bp(iPr2) ligands, which form through metal-nitrogen bond formation to the 2-nitrogen atoms of the pyrazolyl fragments and metal-hydrogen bond formation to one boron-bound hydrogen atom per Bp ligand. SrBp(2)(THF)(2)has the shortest metal-hydrogen interactions among the series. A combination of preparative sublimations, solid state decomposition temperatures, and thermo-gravimetric analysis demonstrated that MBp(2)(THF)(2), BaBp(2)(THF)(4), and M(Bp(iPr2))(2)(THF)(2) undergo solid state decomposition at moderate temperatures. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.02.026