cyclopenta-1,3-diene;samarium(3+);tris(3,5-dimethylpyrazol-1-yl)boranuide | 245729-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclopenta-1,3-diene;samarium(3+);tris(3,5-dimethylpyrazol-1-yl)boranuide
• CAS: 245729-97-9
• 化学式: C₃₅H₄₉B₂N₁₂Sm
• 分子量: 809.836
• InChiKey: WZDOYICQKNALNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  50
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  chloro-bis[hydro-tris(3.5-dimethylpyrazol-1-yl)borato]samarium(III) 、 环戊二烯 在 KC₆H₄CH₂N(CH₃)2 作用下， 以 甲苯 为溶剂， 生成 cyclopenta-1,3-diene;samarium(3+);tris(3,5-dimethylpyrazol-1-yl)boranuide
  参考文献：
  名称：

  Samarium(III) compounds supported by the hydrotris(3,5-dimethyl-pyrazolyl)borate ligand: synthetic utility of the putative, reduction prone Sm(III)-hydrocarbyls, ‘(TpMe2)2SmR’

  摘要：

  Addition of a stoichiometric amount of KR (R = CH2C6H4-o-NMe2, C6H4-o-CH2NMe2, CH2C6H5) to a solution of Sm(Tp(Me2))(2)Cl in toluene or THF led to the immediate formation of the insoluble, purple Sm(Tp(Me2))(2) compound. However, when these reactions are carried out in the presence of protic substrates such as HOPh, HCp, HCCPh, HOC6H2-2,4,6-'Bu-3, HNPh2 and 3,5-Me(2)pzH. the corresponding Sm(Tp(Me2))(2)(Y) compounds (Y = OPh (1), CCPh (2). Cp (3). OC6H2-2,4,6-'Bu-3 (4), NPh2 (5), 3,5-Me(2)pz (6)) readily form and in good yields, The structures of 4-6 have been established by X-ray crystallography. (C) 2001 Elsevier Science BN. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00855-5