K[H₂B{3,5-(i-Pr)₂pz}₂] | 514790-22-8

• 英文名称: K[H₂B{3,5-(i-Pr)₂pz}₂]
• 英文别名: K(3,5-diisopropylpyrazoly)2borate；KBp(iPr2)
• CAS: 514790-22-8
• 化学式: C₁₈H₃₂BN₄*K
• 分子量: 354.388
• InChiKey: DKZXDBFTEYWTMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  UI3(tetrahydrofuran)4 、 K[H₂B{3,5-(i-Pr)₂pz}₂] 以 四氢呋喃 为溶剂， 以65%的产率得到[U(κ(3)-Bp(iPr2))3]
  参考文献：
  名称：

  Synthesis, structure and solution behaviour of U(III) poly(3,5-diisopropylpyrazoly)borate complexes

  摘要：

  The novel KBp(iPr2) and the previously described KTp(iPr2) react with [UI3(THF)(4)], in THF, yielding the new compounds [U {kappa(3)-Bp(iPr2))}(3)] (1) and [UI2 (kappa(3)-Tp(iPr2))(THF)(x)] (x = 2-3) (2), respectively. Compound 1 is remarkably stable, while 2 decomposes in solution, being the main decomposition product [UI2 (kappa(3)-Tp(iPr2)) (kappa(1)-Tp(iPr2)H)] (3). The formation of 3 is prevented when [UI3(THF)(4)] reacts with KTp(iPr2) in toluene, in the presence of strong neutral coordinating ligands. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1387-7003(02)00681-0
• 作为产物：
  描述：

  钾硼氢 、 3,5-二异丙基吡唑 以 二乙二醇二甲醚 为溶剂， 反应 20.0h， 以65%的产率得到K[H₂B{3,5-(i-Pr)₂pz}₂]
  参考文献：
  名称：

  [Bis(3,5-diisopropylpyrazol-1-yl-κN²)dihydroborato](triphenylphosphane-κP)copper(I)

  摘要：

  在标题化合物[Cu(C18H32BN4)(C18H15P)]中，Cu 离子由阴离子双齿螯合双(3,5-二异丙基吡唑-1-基)二氢硼酸配体的两个 N 原子[平均 Cu-N 间距 = 1.平均 Cu-N 间距 = 1. 994 (3) Å]，三苯基膦配体的 P 原子[Cu-P 间距 = 2.1676 (8) Å]呈三叉几何形状[CuI 原子周围的角度总和为 359.6 (1)°]。相邻配位吡唑环 N 原子间的 N-Cu-N 角为 98.99 (9)°，而配位吡唑 N 原子与三苯基膦 P 原子间的平均 N-Cu-P 角为 130.3 (1)°。

  DOI：

  10.1107/s0108270113015965

文献信息

• Synthesis, structural characterization, and properties of heavier alkaline earth complexes containing bis(pyrazolyl)borate or bis(3,5-diisopropylpyrazolyl)borate ligands
  作者：Mark J. Saly、Mary Jane Heeg、Charles H. Winter

  DOI：10.1016/j.poly.2011.02.026

  日期：2011.4

  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.