1-[(3,5-dimethyl-1-pyrazol-1-yl)dimethylsilyl]-3,5-dimethyl-1Н-pyrazole | 301526-78-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 1-[(3,5-dimethyl-1-pyrazol-1-yl)dimethylsilyl]-3,5-dimethyl-1Н-pyrazole
• 英文别名: bis(3,5-dimethylpyrazol-1-yl)dimethylsilane；bis(3,5-dimethylpyrazol-1-yl)-dimethylsilane
• CAS: 301526-78-3
• 化学式: C₁₂H₂₀N₄Si
• 分子量: 248.403
• InChiKey: YDPOHPJSXQXUHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  348.9±52.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙二醇二甲醚溴化镍 、 1-[(3,5-dimethyl-1-pyrazol-1-yl)dimethylsilyl]-3,5-dimethyl-1Н-pyrazole 以 四氢呋喃 、 甲苯 为溶剂， 反应 24.0h， 以76.9%的产率得到
  参考文献：
  名称：

  Nickel complexes incorporating pyrazole-based ligands for ethylene dimerization to 1-butylene

  摘要：

  In this study we synthesized and characterized bis(3,5-dimethylpyrazolyl)dimethylsilane (L1) and bis(3,5-dimethylpyrazolyl) phenylphosphine (L2) and then prepared bidentate (N boolean AND N) nickel complexes by reacting L1 or L2 with NiBr2(DME). In combination with methylaluminoxane, diethylchloroaluminum or ethyldichloroaluminum (EADC) as co-catalyst, L1/Ni and L2/Ni complexes exhibited moderate catalytic activities (240-1310 kg/mol(Ni) h) and high selectivities (up to 93.2%) for ethylene dimerization toward 1-butylene. The catalytic performance was substantially affected by the co-catalyst type and ligand environment, especially the bridge atom. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.04.041
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 二氯二甲基硅烷 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 28.0h， 以90%的产率得到1-[(3,5-dimethyl-1-pyrazol-1-yl)dimethylsilyl]-3,5-dimethyl-1Н-pyrazole
  参考文献：
  名称：

  Nickel complexes incorporating pyrazole-based ligands for ethylene dimerization to 1-butylene

  摘要：

  In this study we synthesized and characterized bis(3,5-dimethylpyrazolyl)dimethylsilane (L1) and bis(3,5-dimethylpyrazolyl) phenylphosphine (L2) and then prepared bidentate (N boolean AND N) nickel complexes by reacting L1 or L2 with NiBr2(DME). In combination with methylaluminoxane, diethylchloroaluminum or ethyldichloroaluminum (EADC) as co-catalyst, L1/Ni and L2/Ni complexes exhibited moderate catalytic activities (240-1310 kg/mol(Ni) h) and high selectivities (up to 93.2%) for ethylene dimerization toward 1-butylene. The catalytic performance was substantially affected by the co-catalyst type and ligand environment, especially the bridge atom. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.04.041

文献信息

• Chemical transformations of diazoles in the reactions of carboxylation, N-siloxycarbonylation, and transsilylation
  作者：L. O. Belova、M. V. Pletnev、A. D. Kirilin

  DOI：10.1134/s1070363213070116

  日期：2013.7

  The behavior of 3,5-dimethylpyrazole, 3(5)-methylpyrazole, imidazole and their trimethyl-silyl derivatives in carboxylation, N-siloxycarbonylation, and transsilylation reactions was studied. A new Nsiloxycarbonylation reagent, diazole trimethylsilyl derivative-carbon dioxide, was found. This reagent makes it possible to obtain easily O-silylurethanes starting from primary, secondary amines and hydrazine derivatives, as well as to develop a convenient one pot synthesis method for trimethylsiloxycarbonyldiazoles.
• Zinc bis(pyrazolyl)silane complexes
  作者：Lauakia M. Richburg、Jamshaid A. Farouq、Christopher D. Incarvito、Arnold L. Rheingold*、Daniel Rabinovich*

  DOI：10.1016/s0277-5387(00)00470-8

  日期：2000.7

  The first two members of a new family of nitrogen-donor ligands, the bis(pyrazolyl)silanes Me2Si(3,5-R(2)pz)(2) (R = I-I, Me), have been readily synthesized in almost quantitative yield from Me2SiCl2 and the alkali metal pyrazolates M(3,5-R(2)pz) (M = Li or Na). Both bidentate ligands, abbreviated Bps and Bps(Me2), respectively, have been used to prepare the zinc derivatives LZnX2 (L = Bps, Bps(Me2); X = Cl, Br, I), all of which have been characterized by a combination of analytical and spectroscopic techniques and, in the case of (Bps(Me2))ZnI2, also by single-crystal X-ray diffraction. (C) 2000 Elsevier Science Ltd. All rights reserved.