thallium(I) hydrotris(3-tert-butylpyrazol-1-yl)borate | 121558-95-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: thallium(I) hydrotris(3-tert-butylpyrazol-1-yl)borate
• 英文别名: tris(3-tert-butyl-pyrazolyl)hydroborato thalium；hydridotris(3-t-butyl-1-pyrazolyl)boratothallium(I)；Thallium(1+);tris(3-tert-butylpyrazol-1-yl)boranuide
• CAS: 121558-95-0
• 化学式: C₂₁H₃₄BN₆Tl
• 分子量: 585.735
• InChiKey: FQMBTLFKTGXKCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  thallium(I) hydrotris(3-tert-butylpyrazol-1-yl)borate 以 乙醚 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Han, Runyu; Parkin, Gerard, Inorganic Chemistry, 1992, vol. 31, # 6, p. 983 - 988

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4-二甲基-2-氧戊醛 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 、 mineral oil 为溶剂， 反应 44.5h， 生成 thallium(I) hydrotris(3-tert-butylpyrazol-1-yl)borate
  参考文献：
  名称：

  在温和条件下合成已知且以前无法获得的聚（吡唑基）硼酸酯

  摘要：

  聚（吡唑基）硼酸酯配体是通过高反应性卤代硼烷与原位形成的吡唑烷在非常温和的条件下反应获得的。这种通用的合成方法可以选择性合成双、三或四（吡唑基）硼酸盐。此外，该方法与迄今为止无法获得的聚（吡唑基）硼酸酯杂环部分上的官能团的使用兼容。首次获得了具有降低的给体能力的强负担钠和铊(I)聚(吡唑基)硼酸盐。

  DOI：

  10.1021/acs.joc.3c00761

文献信息

• Synthesis and structural and spectroscopic characterization of mononuclear copper nitrosyl complexes: models for nitric oxide adducts of copper proteins and copper-exchanged zeolites
  作者：Christy E. Ruggiero、Susan M. Carrier、William E. Antholine、James W. Whittaker、Christopher J. Cramer、William B. Tolman

  DOI：10.1021/ja00077a030

  日期：1993.12

  5-R'-pyrazolyl)hydroborate: 1, R= t-Bu, R'=H; 2, R=R'= Ph). These novel CuNO} 11 (10 metal d+1 NO π * =11 total electrons) compounds model a possible intermediate in nitrite reduction by the copper nitrite reductase from Achromobacter cycloclastes and provide chemical precedentfor NO coordination to isolated copper sites in proteins and in zeolites

  我们报告了表征良好的单核亚硝酰基铜配合物 Tp RR' CuNO (Tp RR' =tri(3-R,5-R'-pyrazolyl)hydroborate: 1, R= t-Bu ，R'=H；2，R=R'=Ph)。这些新的 CuNO} 11（10 个金属 d+1 NO π * = 11 个总电子）化合物模拟了亚硝酸铜还原亚硝酸盐的可能中间体，来自无色杆菌 cycloclastes 并为 NO 与蛋白质中分离的铜位点配位提供了化学先例。沸石
• Tris(3-tert-butylpyrazolyl)hydroborato zinc hydride: synthesis, structure and reactivity of a monomeric zinc hydride derivative
  作者：Runyu Han、Ian B. Gorrell、Adrian G. Looney、Gerard Parkin

  DOI：10.1039/c39910000717

  日期：——

  The monomeric zinc hydride derivative η3-HB(3-Butpz)3}ZnH has been synthesized by the reaction of ZnH2 with Tlη3-HB(3-Butpz)3} and its reactivity investigated.

  通过 ZnH2 与 Tlη3-HB(3-Butpz)3} 的反应，合成了单质氢化锌衍生物 η3-HB(3-Butpz)3}ZnH 并研究了其反应活性。
• Molecular Design of Single-Site Metal Alkoxide Catalyst Precursors for Ring-Opening Polymerization Reactions Leading to Polyoxygenates. 1. Polylactide Formation by Achiral and Chiral Magnesium and Zinc Alkoxides, (η³-L)MOR, Where L = Trispyrazolyl- and Trisindazolylborate Ligands
  作者：Malcolm H. Chisholm、Nancy W. Eilerts、John C. Huffman、Suri S. Iyer、Martha Pacold、Khamphee Phomphrai

  DOI：10.1021/ja002160g

  日期：2000.12.1

  Single-site achiral and chiral C-3-symmetric complexes LMOR, where M = Mg and Zn, L = an eta (3)-trispyrazolyl- or eta (3)-trisindazolyl-borate ligand and R = Et, Bu-t, Ph, or SiMe3, have-been synthesized and employed in the ring-opening polymerization of L-, rac-, and meso-lactide in CH2Cl2 at 25 degreesC and below. The polymerization occurs by acyl cleavage and gives rise to polylactide, PLA, with PDI of 1.1-1.25 up to 90% conversion. Studies of the kinetics of polymerization reveal first order behavior in both lactide and metal catalyst. For L = tris(3-tert-butylpyrazolyl)borate, ((t)Bupz)(3)BH, polymerization of similar to 500 equiv of L-lactide proceeds to 90% conversion within 1 h and 6 d for the magnesium and zinc catalysts, respectively. The zinc complexes are, however, more tolerant to air and moisture and solid samples where R = SiMe3 are persistent in air for several days. The rate of polymerization is also significantly influenced by the nature of the eta (3)-L spectator li,ligand. Chiral C-3-symmetric catalysts, where L = tris(indazolyl)borates derived:from camphor and menthone, show only slight enantioselectivity in their polymerization of rac-lactide but do show significant diastereoselectivity in their ability to preferentially polymerize meso-lactide from a mixture of rac- and meso-lactide. The poly(mesolactide) shows a modest preference for syndiotactic junctions, RSRSRS. The molecular structures, deduced from single-crystal X-ray crystallography, are reported for eta (3)-HB(3-Phpz)(3)MgEt(THF), [eta (3)-HB((7R)-Pr-i-(4R)-Me-4,5,6,7-tetrahydro-2H-indazolyl)(3)]ZnMe and [eta (3)-HB(3-(t)Bupz)(3,5-(CF3)(2)pz)(2)]-ZnOSiMe3 and serve as structural models for activated and ground-state configurations of the metal ions during the polymerization reaction. The molecular structure of meso-lactide is also reported. These results are compared with polymerizations of lactide by other coordinate catalysts.
• Looney, Adrian; Han, Runyu; Gorrell, Ian B., Organometallics, 1995, vol. 14, # 1, p. 274 - 288
  作者：Looney, Adrian、Han, Runyu、Gorrell, Ian B.、Cornebise, Mark、Yoon, Keum、Parkin, Gerard、Rheingold, Arnold L.

  DOI：——

  日期：——
• Looney, Adrian; Parkin, Gerard; Rheingold, Arnold L., Inorganic Chemistry, 1991, vol. 30, # 15, p. 3099 - 3101
  作者：Looney, Adrian、Parkin, Gerard、Rheingold, Arnold L.

  DOI：——

  日期：——