[(hydrotris(3-cyclohexylpyrazol-1-yl)borato)thallium(I)] | 163893-02-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(hydrotris(3-cyclohexylpyrazol-1-yl)borato)thallium(I)]
• 英文别名: thallium tris(3-cyclohexylpyrazol-1-yl)borate；Tl(hydrotris(3-cyclohexylpyrazol-1-yl)borate)；thallium(1+);tris(3-cyclohexylpyrazol-1-yl)boranuide
• CAS: 163893-02-5
• 化学式: C₂₇H₄₀BN₆Tl
• 分子量: 663.849
• InChiKey: KNSIMBQWZNQCCC-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：

  [(hydrotris(3-cyclohexylpyrazol-1-yl)borato)thallium(I)] 以 十二烷 、 氯仿 、 水 为溶剂， 生成 [Co(hydrobis(3-cyclohexylpyrazol-1-yl)(5-cyclohexylpyrazol-1-yl)borate)]
  参考文献：
  名称：

  Coordination Chemistry of Novel Scorpionate Ligands Based on 3-Cyclohexylpyrazole and 3-Cyclohexyl-4-bromopyrazole

  摘要：

  The ligands [hydrotris(3-cyclohexylpyrazol-1-yl)borate, [Tp(Cy)](-), tetrakis(3-cyclohexylpyrazol-1-yl) borate, [pzdegreesTp(Cy)](-), and hydrotris(3-cyclohexyl-4-bromopyrazol-1-yl)borate, [Tp(Cy),(4Br)](-) were synthesized and characterized as their Tl(l) derivatives. They were converted to a variety of tetrahedral LMX and octahedral LML' complexes, as well as to the dinuclear nickel carbonate complex [NI(Tp(Cy))](2)(CO3), 4, and the compound Ni[Tp(Cy,4Br)][pz(Cy,4Br)](3)(H)(2), 5. The structures of Co[Tp(Cy)]Cl, 1, Co[Tp(Cy,4Br)]Cl, 2, Co[Tp(Cy,4Br)]NCS, 3, [Ni(Tp(Cy))](2)(CO3), 4, Ni[Tp(Cy),(4Br)][pz(Cy,4Br)](3)(H)(2), 5, and Mo[Tp(Cy)]-(CO)(2)(eta(3)-methallyl), 6, were determined by X-ray crystallography. The structures of paramagnetic heteroleptic complexes Co[Tp(Cy)][Tp], Co[Tp(Cy)][Tp*], Co[Tp(Cy,4Br)][Tp], and Co[Tp(Cy,4Br)[Tp*] were established by NMR. The homoleptic compounds Co[Tp(Cy)](2) and Co[Tp(Cy,4Br)](2) rearrange thermally to Co[Tp(Cy)*](2) and to Co[Tp((Cy,4Br)*)](2), respectively, containing one 5-cyclohexyl group/ligand.

  DOI：

  10.1021/ic011186l
• 作为产物：
  描述：

  钾硼氢 、 thallium(I) nitrate 、 3-环己基吡唑 以 neat (no solvent) 为溶剂， 生成 [(hydrotris(3-cyclohexylpyrazol-1-yl)borato)thallium(I)]
  参考文献：
  名称：

  Rheingold, Arnold L.; Haggerty, Brian S.; Trofimenko, Swiatoslaw, Angewandte Chemie, 1994, vol. 106, # 19, p. 2053 - 2056

  摘要：

  DOI：

文献信息

• Efficient mechanochemical synthesis of tris(pyrazolylborate) complexes of manganese(II), cobalt(II) and nickel(II)
  作者：Sergey V Kolotilov、Anthony W Addison、Swiatoslaw Trofimenko、William Dougherty、Vitaly V Pavlishchuk

  DOI：10.1016/j.inoche.2004.01.009

  日期：2004.4

  Abstract A mechanochemical synthesis of Mn(II), Co(II) and Ni(II) tris(pyrazolylborates) (Tp−) was developed, which enabled preparation of metal complexes of the type TpMCl and TpMCl · Hpz type (Hpz is the substituted pyrazole generated by hydrolysis of the corresponding Tp− ligand). The X-ray structure of a new Co(II) tris(pyrazolylborate) and the electronic spectra of these coordination compounds

  摘要 开发了 Mn(II)、Co(II) 和 Ni(II) 三（吡唑基硼酸盐）（Tp−）的机械化学合成方法，能够制备 TpMCl 和 TpMCl·Hpz 型（Hpz 是取代的相应的 Tp-配体水解产生的吡唑）。讨论了新的 Co(II) 三（吡唑基硼酸酯）的 X 射线结构和这些配位化合物的电子光谱。
• Copper-Catalyzed Carbene Insertion into O−H Bonds:  High Selective Conversion of Alcohols into Ethers
  作者：M. Esther Morilla、M. Jesus Molina、M. Mar Díaz-Requejo、Tomás R. Belderraín、M. Carmen Nicasio、Swiatoslaw Trofimenko、Pedro J. Pérez

  DOI：10.1021/om030243a

  日期：2003.7.1

  The complexes Tp(X)Cu (Tp(X) = homoscorpionate ligands) efficiently catalyze the insertion of the carbene fragment :CHCO(2)Et, generated from ethyl diazoacetate, into the OH bond of saturated and unsaturated alcohols, under mild conditions. In the case of unsaturated alcohols, the reaction proceeds selectively toward the insertion product, and in no case has the addition product been observed.