tris(3,5-dimethylpyrazol-1-yl)methylsilane | 162716-43-0

• 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: tris(3,5-dimethylpyrazol-1-yl)methylsilane
• 英文别名: methyltris(3,5-dimethylpyrazolyl)silane；tris(3,5-dimethylpyrazolyl)methylsilane；tris(3,5-dimethylpyrazol-1-yl)-methylsilane
• CAS: 162716-43-0
• 化学式: C₁₆H₂₄N₆Si
• 分子量: 328.492
• InChiKey: YNMPLOOCOIRDED-UHFFFAOYSA-N

物化性质

• 沸点：
  472.0±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tris(acetonitrile)tricarbonylmolybdenum(0) 、 tris(3,5-dimethylpyrazol-1-yl)methylsilane 以 乙腈 为溶剂， 以71%的产率得到tricarbonyl(methyltris(3,5-dimethylpyrazolyl)silane)molybdenum
  参考文献：
  名称：

  Syntheses and Structures of Methyltris(pyrazolyl)silane Complexes of the Group 6 Metals

  摘要：

  The methyltris(3,5-dimethylpyrazolyl)silane ligand, Tps(Me2), was readily prepared by the metathesis reaction of methyltrichlorosilane with 3 equiv of lithium 3,5-dimethylpyrazolate. The octahedral tricarbonyl complexes (Tps(Me2))M(CO)(3) were synthesized either by ligand exchange with the labile nitrile adducts M(CO)(3)(NCR)(3) (M = Cr, Mo, R = Me; M = W, R = Et) or thermally by direct substitution on the hexacarbonyls M(CO)(6) (M = Cr, Mo). The three new complexes were characterized by a combination of analytical and spectroscopic techniques, including electrospray ionization mass spectrometry and single-crystal X-ray diffraction. They are all isostructural and display in the solid state the expected distorted octahedral geometries with facially coordinated tris(pyrazolyl)silane ligands. Crystallographic data were used to calculate the ligand cone angles (251-264 degrees) in (Tps(Me2))M(CO)(3) and also to estimate a value of 1.59 Angstrom for the covalent radius of octahedral W(0).

  DOI：

  10.1021/ic990945l
• 作为产物：
  描述：

  甲基三氯硅烷 、 (3,5-二甲基吡唑-1-基)-三甲基硅烷 生成 tris(3,5-dimethylpyrazol-1-yl)methylsilane
  参考文献：
  名称：

  Tris(3,5-dimethylpyrazol-1-yl)methylsilane

  摘要：

  The structure consists of discrete molecules of tris-(3, 5-dimethylpyrazol-1-yl)methylsilane, C16H24N6Si, that exhibit distorted tetrahedral SiN(pyrazole)(3)C geometry about the Si atom. The Si and methyl C atoms lie on threefold axes. The C-Si-N and N-Si-N bond angles are 111.3(2) and 107.5(2)degrees, respectively, while the Si-N bond length is 1.745 (5) Angstrom. The present work provides the first reported structure containing an Si-N(pyrazole) linkage.

  DOI：

  10.1107/s0108270194007031

文献信息

• A Family of Scandium and Yttrium Tris((trimethylsilyl)methyl) Complexes with Neutral N₃ Donor Ligands
  作者：Cara S. Tredget、Sally C. Lawrence、Benjamin D. Ward、Robert G. Howe、Andrew R. Cowley、Philip Mountford

  DOI：10.1021/om050209r

  日期：2005.6.20

  HC(Me2pz)3, or Me3[6]aneN3 gave the corresponding tris((trimethylsilyl)methyl) derivatives M(Me3[9]aneN3)(CH2SiMe3)3 (M = Sc (1), Y (2)), MHC(Me2pz)3}(CH2SiMe3)3 (M = Sc (3), Y (4)), and M(Me3[6]aneN3)(CH2SiMe3)3 (M = Sc (12), Y (13)). Reaction of 3 with 2,6-dimethylphenol (ArOH) gave the tris(aryloxide) derivative ScHC(Me2pz)3}(OAr)3 (9), and reaction of HC(Me2pz)3 with MCl3 gave MHC(Me2pz)3}Cl3 (M

  报道了含有三（3,5-二甲基吡唑基）甲烷（HC（Me 2 pz）3）和1,3,5-三甲基三氮杂环己烷（Me 3 [6] aneN 3）配体的第一组3有机金属化合物，以及同源的1,4,7-三氮杂环壬烷负载的化合物和许多配体的三氯化物衍生物。M（CH 2 SiMe 3）3（THF）2（M = Sc，Y）与Me 3 [9] aneN 3（1,4,7-三甲基三氮杂环壬烷），HC（Me 2 pz）3或Me 3反应[6] aneN 3得到相应的三（（三甲基甲硅烷基）甲基）衍生物M（Me 3 [9] aneN 3）（CH 2 SiMe 3）3（M = Sc（1），Y（2）），M HC（Me 2 pz）3 }（CH 2 SiMe 3）3（M = Sc（3），Y（4））和M（Me 3 [6] aneN 3）（CH 2 SiMe 3）3（M = Sc（12），Y （13））。反应3与2,6-二甲基苯酚（ArOH）生成三（芳氧基）衍生物Sc
• A novel transformation of a zirconium imido compound and the development of a new class of N₃donor heteroscorpionate ligand
  作者：Robert G. Howe、Cara S. Tredget、Sally C. Lawrence、Suparabhorn Subongkoj、Andrew R. Cowley、Philip Mountford

  DOI：10.1039/b513927a

  日期：——

  Reaction of the dimeric zirconium imido compound [Zr2(μ-NAr)2Cl4(THF)4] with tris(3,5-dimethylpyrazolyl)methyl silane very selectively gave [Zr(Me2pz)2Si(Me)NAr}Cl3] (1), a highly active pre-catalyst for ethylene polymerisation; a more general and versatile route to N3 donor heteroscorpionate compounds was achieved via the protio ligand (Me2pz)2CHSi(Me)2N(H)iPr for which neutral and cationic organometallic Group 3 and 4 derivatives are reported (Ar = 2,6-C6H3iPr2).

  二聚亚氨基锆化合物[Zr2(μ-NAr)2Cl4(THF)4]与三(3,5-二甲基吡唑基)甲基硅烷的反应选择性极高，得到了[Zr(Me2pz)2Si(Me)NAr}Cl3](1)，这是一种高活性的乙烯聚合前催化剂；通过原生配体 (Me2pz)2CHSi(Me)2N(H)iPr 实现了通向 N3 供体杂莨菪酸盐化合物的更普遍、更多用途的途径，报告了中性和阳离子有机金属第 3 组和第 4 组衍生物（Ar = 2,6-C6H3iPr2）。
• Stibrany, Robert T.; Knapp, Spencer; Potenza, Joseph A., Inorganic Chemistry, 1999, vol. 38, # 1, p. 132 - 135
  作者：Stibrany, Robert T.、Knapp, Spencer、Potenza, Joseph A.、Schugar, Harvey J.

  DOI：——

  日期：——
• Syntheses and Structures of Methyltris(pyrazolyl)silane Complexes of the Group 6 Metals
  作者：Eric E. Pullen、Daniel Rabinovich、Christopher D. Incarvito、Thomas E. Concolino、Arnold L. Rheingold

  DOI：10.1021/ic990945l

  日期：2000.4.1

  The methyltris(3,5-dimethylpyrazolyl)silane ligand, Tps(Me2), was readily prepared by the metathesis reaction of methyltrichlorosilane with 3 equiv of lithium 3,5-dimethylpyrazolate. The octahedral tricarbonyl complexes (Tps(Me2))M(CO)(3) were synthesized either by ligand exchange with the labile nitrile adducts M(CO)(3)(NCR)(3) (M = Cr, Mo, R = Me; M = W, R = Et) or thermally by direct substitution on the hexacarbonyls M(CO)(6) (M = Cr, Mo). The three new complexes were characterized by a combination of analytical and spectroscopic techniques, including electrospray ionization mass spectrometry and single-crystal X-ray diffraction. They are all isostructural and display in the solid state the expected distorted octahedral geometries with facially coordinated tris(pyrazolyl)silane ligands. Crystallographic data were used to calculate the ligand cone angles (251-264 degrees) in (Tps(Me2))M(CO)(3) and also to estimate a value of 1.59 Angstrom for the covalent radius of octahedral W(0).
• Tris(3,5-dimethylpyrazol-1-yl)methylsilane
  作者：S. Vepachedu、R. T. Stibrany、S. Knapp、J. A. Potenza、H. J. Schugar

  DOI：10.1107/s0108270194007031

  日期：1995.3.15

  The structure consists of discrete molecules of tris-(3, 5-dimethylpyrazol-1-yl)methylsilane, C16H24N6Si, that exhibit distorted tetrahedral SiN(pyrazole)(3)C geometry about the Si atom. The Si and methyl C atoms lie on threefold axes. The C-Si-N and N-Si-N bond angles are 111.3(2) and 107.5(2)degrees, respectively, while the Si-N bond length is 1.745 (5) Angstrom. The present work provides the first reported structure containing an Si-N(pyrazole) linkage.