2-bromo-1,3-bis(3,5-dimethylpyrazol-1-ylmethyl)benzene | 277306-11-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-bromo-1,3-bis(3,5-dimethylpyrazol-1-ylmethyl)benzene
• 英文别名: 2,6-bis((3,5-dimethylpyrazol-1-yl)methyl)bromobenzene；2,6-bis{(3,5-dimethylpyrazol-1-yl)methyl}bromobenzene；1-[[2-Bromo-3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3,5-dimethylpyrazole
• CAS: 277306-11-3
• 化学式: C₁₈H₂₁BrN₄
• 分子量: 373.296
• InChiKey: QUNNXSXGWPUFKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  [(Me)₂Pt(μ-SEt₂)]₂ 、 2-bromo-1,3-bis(3,5-dimethylpyrazol-1-ylmethyl)benzene 以 苯 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Facial and meridional [NCN]− intramolecular coordination systems: structure of fac-PtBrMe2{2,6-(pzCH2)2C6H3}·1/2C6H6 {[2,6-(pzCH2)2C6H3]−=2,6-(bis{(pyrazol-1-yl)methyl}phenyl)} and mer-PtBr{2,6-(3,5-Me2pzCH2)2C6H3}, and an alternative synthetic route to the platinum(II) [NCN]− kernel

  摘要：

  Intramolecular coordination by the six-membered monoanionic N,C,N chelating system 2,6-(pyrazol-1-ylmethyl)phenyl and substituted derivatives can give rise to facial and meridional coordination, exhibited by structural studies of facial. coordination in the platinum(IV) complex PtBrMe2{2,6-(pzCH(2))(2)C6H3}. 1/2C(6)H(6) and meridional coordination in the platinum(II) complex PtBr{2,6-(3,5-Me(2)pzCH(2))(2)C6H3} showing close to 'ideal' geometry for the [N-C-N](-) donor sets. A platinum(IV) complex is formed by oxidative addition of 2,6-(3,5-Me(2)pzCH(2))(2)C6H3Br to [PtMe2(SEt2)](2), but reaction with [Pt(p-Tol)(2)(SEt2)](2) gives the platinum(II) complex PtBr{2,6-(3,5-Me(2)pzCH(2))(2)C6H3} and 4,4'-bitolyl. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00763-9
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 2-溴-1,3-双(溴乙基)苯 在 氢化钾 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以50%的产率得到2-bromo-1,3-bis(3,5-dimethylpyrazol-1-ylmethyl)benzene
  参考文献：
  名称：

  Facial and meridional [NCN]− intramolecular coordination systems: structure of fac-PtBrMe2{2,6-(pzCH2)2C6H3}·1/2C6H6 {[2,6-(pzCH2)2C6H3]−=2,6-(bis{(pyrazol-1-yl)methyl}phenyl)} and mer-PtBr{2,6-(3,5-Me2pzCH2)2C6H3}, and an alternative synthetic route to the platinum(II) [NCN]− kernel

  摘要：

  Intramolecular coordination by the six-membered monoanionic N,C,N chelating system 2,6-(pyrazol-1-ylmethyl)phenyl and substituted derivatives can give rise to facial and meridional coordination, exhibited by structural studies of facial. coordination in the platinum(IV) complex PtBrMe2{2,6-(pzCH(2))(2)C6H3}. 1/2C(6)H(6) and meridional coordination in the platinum(II) complex PtBr{2,6-(3,5-Me(2)pzCH(2))(2)C6H3} showing close to 'ideal' geometry for the [N-C-N](-) donor sets. A platinum(IV) complex is formed by oxidative addition of 2,6-(3,5-Me(2)pzCH(2))(2)C6H3Br to [PtMe2(SEt2)](2), but reaction with [Pt(p-Tol)(2)(SEt2)](2) gives the platinum(II) complex PtBr{2,6-(3,5-Me(2)pzCH(2))(2)C6H3} and 4,4'-bitolyl. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00763-9

文献信息

• Organonickel(II) complexes with anionic tridentate 1, 3-bis(azolylmethyl)phenyl ligands. synthesis, structural characterization and catalytic behavior
  作者：John Hurtado、Andrés Ibañez、René Rojas、Mauricio Valderrama、Roland Fröhlich

  DOI：10.1590/s0103-50532011000900018

  日期：——

  The reaction of 2-bromo-1,3-bis(bromomethyl) benzene with 3,5-dimethylpyrazole and 1H-indazole yields the tridentate ligands 2-bromo-1,3-bis(3,5-dimethylpirazol-1-ylmethyl)benzene (1) and 2-bromo-1,3-bis(indazol-2-ylmethyl)benzene (2). These compounds react with [Ni(cod)(2)] in tetrahydrofuran (thf) to form the oxidative addition complexes [NiBr1,3-bis(azolylmethyl) phenyl-N, C, N}], azol = 3,5-dimethylpyrazol (3), indazol (4), which were isolated in good yields as stable yellow solids and characterized by elemental analysis, Fourier-transform infrared spectroscopy (FTIR), mass spectroscopy and nuclear magnetic resonance (NMR). In addition, the molecular structures of 2 and 4 were determined by single-crystal X-ray diffraction analysis. Complex 4 was tested as a catalyst in ethylene polymerization reaction.