sodium hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate | 503156-57-8

• 英文名称: sodium hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate
• CAS: 503156-57-8
• 化学式: C₂₇H₃₀BN₆*Na
• 分子量: 472.376
• InChiKey: HACNIYXIYGBLDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  sodium hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate 以 四氢呋喃 、 氘代甲醇 、 水 为溶剂， 生成 thiocyanatohydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)boratocobalt lactate
  参考文献：
  名称：

  Complexes of heteroscorpionate trispyrazolylborate ligands. Part IX. X-ray crystallographic studies on cobalt(II) complexes of hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate

  摘要：

  The synthesis of the sodium salt of a new anionic heteroscorpionate trispyrazolylborate ligand as of sodium hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate (NaTp") was described. Two cobalt(II) complexes: Tp"Co(NCS)(THF) and Tp"CoTp were synthesized and characterized crystallographically. Trispyrazolylbo rate ligands (Tp" and Tp) are coordinated in a K 3 fashion in both complexes. The dependence of the Co-N bond length from the steric hindrance of the Tp" ligand was discussed. The steric hindrance imposed by the Tp" ligand was also probed by in situ conversions of Tp"Co(NCS)(CD3OD) into Tp"Co(lactate) and Tp"CoTp with H-1 NMR spectral monitoring and compared with other similar systems. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00002-0
• 作为产物：
  描述：

  3-甲基-5-苯基-1H-吡唑 、 3,5-Diethyl-1H-pyrazole 、 sodium tetrahydroborate 以 further solvent(s) 为溶剂， 以21.7%的产率得到sodium hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate
  参考文献：
  名称：

  Complexes of heteroscorpionate trispyrazolylborate ligands. Part IX. X-ray crystallographic studies on cobalt(II) complexes of hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate

  摘要：

  The synthesis of the sodium salt of a new anionic heteroscorpionate trispyrazolylborate ligand as of sodium hydrobis(3-phenyl,5-methylpyrazolyl)(3,5-diethylpyrazolyl)borate (NaTp") was described. Two cobalt(II) complexes: Tp"Co(NCS)(THF) and Tp"CoTp were synthesized and characterized crystallographically. Trispyrazolylbo rate ligands (Tp" and Tp) are coordinated in a K 3 fashion in both complexes. The dependence of the Co-N bond length from the steric hindrance of the Tp" ligand was discussed. The steric hindrance imposed by the Tp" ligand was also probed by in situ conversions of Tp"Co(NCS)(CD3OD) into Tp"Co(lactate) and Tp"CoTp with H-1 NMR spectral monitoring and compared with other similar systems. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(03)00002-0

文献信息

• Complexes of Heteroscorpionate Trispyrazolylborate Ligands. Part 10. Structures and Fluxional Behavior of Rhodium(I) Complexes with Heteroscorpionate Trispyrazolylborate Ligands, Tp‘ ‘Rh(LL) (LL = (CO)₂ or COD)
  作者：Tomasz Ruman、Zbigniew Ciunik、Anna M. Trzeciak、Stanisław Wołowiec、Józef J. Ziółkowski

  DOI：10.1021/om020873x

  日期：2003.3.1

  5-dimethyl-, and 3,5-diethylpyrazolyl) coordinate to rhodium(I) in a κ2 fashion to form Tp‘ ‘Rh(LL) complexes (where LL = COD or (CO)2). One of the two 3-phenyl-5-methylpyrazolyl and the less sterically hindered pyrazolyl coordinate through N(2) atoms, while the axially appended 3-phenyl-5-methylpyrazolyl is in side-on conformation. The Tp‘ ‘Rh(COD) complexes possess C1 symmetry in the solid state

  由两个3-苯基-5-甲基吡唑基和一个可变的第三吡唑基残基（3-甲基-5-苯基-，3,5-二甲基-和3,5-二乙基吡唑基）构成的异蝎子Tp''配位基与铑（I ）在κ 2方式以形成TP”“的Rh（LL）配合物（其中，LL = COD或（CO）2）。两个3-苯基-5-甲基吡唑基之一和较少空间受阻的吡唑基通过N（2）原子进行配位，而轴向连接的3-苯基-5-甲基吡唑基呈并排构型。Tp'Rh（COD）配合物在固态下具有C 1对称性。配位和未配位吡唑之间交换的活化能由可变温度1 H NMR测量估算。两个Δ ģ ⧧发现了异蝎子配合物的值。该Δ ģ ⧧ 1 - Δ ģ ⧧ 2依赖于竞争的吡唑空间需求的差异。对于同蝎子的Tp Ph，Me Rh（COD）络合物，通过低温1 H NMR光谱鉴定了两个旋转异构体，其起源是悬空的3-苯基-5-甲基吡唑基残基的缓慢旋转。发现所有研究的Tp'Rh（COD）配合物在苯基乙炔的区域选择性聚合中均具有催化活性。