1-[2-(3H-inden-1-yl)ethyl]-3-(2,4,6-trimethylphenyl)imidazol-1-ium;bromide | 944128-29-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1-[2-(3H-inden-1-yl)ethyl]-3-(2,4,6-trimethylphenyl)imidazol-1-ium;bromide
• CAS: 944128-29-4
• 化学式: Br*C₂₃H₂₅N₂
• 分子量: 409.369
• InChiKey: JRLWYTJFJNIEJI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tris(trimethylsilylmethyl)yttrium(bis-tetrahydrofuran) 、 1-[2-(3H-inden-1-yl)ethyl]-3-(2,4,6-trimethylphenyl)imidazol-1-ium;bromide 在 KN(SiMe₃)2 作用下， 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of the First Rare Earth Metal Bis(alkyl)s Bearing an Indenyl Functionalized N-Heterocyclic Carbene

  摘要：

  Treatment of indenyl-modified imidazolium bromide [C9H7CH2CH2(NCHCHN(C6H2Me3-2,4,6)CH)Br] ((IndH-NHC-H)Br) with rare earth metal tetra(alkyl) lithium (Ln(CH2SiMe3)(4)Li(THF)(4)) or with (trimethylsilylmethyl)lithium (LiCH2SiMe3) and rare earth metal tris(alkyl)s (Ln(CH2SiMe3)(3)(THF)(2)) sequentially afforded the first NHC-stabilized monomeric rare earth metal bis(alkyl) complexes (Ind-NHC)Ln(CH2SiMe3)(2) (1, Ln = Y; 2, Ln = Lu; 3, Ln = Sc) via double-deprotonation reactions. Complexes 1-3 are THF-free isostructural monomers. The monoanionic Ind-NHC species bond to the central metal ion in a eta(5):kappa(1) constrained geometry configuration (CGC) mode, which combine with the two cis-located alkyl moieties to form a tetrahedron ligand core, leading to the chirality of the complexes. Under the presence of activators AlEt3 and [Ph3C][B(C6F5)(4)], complex 2 showed catalytic activity toward the polymerization of isoprene to afford 3,4-regulated polyisoprene (91%).

  DOI：

  10.1021/om0700922

文献信息

• Reactions of indenyl-functionalized imidazolium salts and N-heterocyclic carbenes with Ru3(CO)12
  作者：Congying Zhang、Feng Luo、Bin Cheng、Bin Li、Haibin Song、Shansheng Xu、Baiquan Wang

  DOI：10.1039/b906933j

  日期：——

  Thermal treatment of indenyl-functionalized imidazolium salts and N-heterocyclic carbenes with Ru3(CO)12 gave different products. The normal mononuclear metal complexes (2a, 2b) were obtained via direct reaction of indenyl-functionalized imidazolium salts (1a, 1b) with Ru3(CO)12. Unexpected intramolecular C–H activated products (3a, 3b, 4a, 4b) were obtained via thermal treatment of corresponding indenyl-functionalized N-heterocyclic carbenes. All complexes were determined by 1H NMR, 13C NMR, IR spectra and elemental analysis. The molecular structures of 2b, 3a, 3b and 4b were determined by X-ray diffraction.

  用 Ru3(CO)12 对茚基官能化咪唑鎓盐和 N-杂环碳化物进行热处理可得到不同的产物。通过茚基官能化咪唑鎓盐（1a、1b）与 Ru3(CO)12 的直接反应，可以得到正常的单核金属配合物（2a、2b）。通过对相应的茚基官能化 N-杂环碳化物进行热处理，得到了意想不到的分子内 C-H 活化产物（3a、3b、4a、4b）。所有配合物均通过 1H NMR、13C NMR、IR 光谱和元素分析进行了测定。通过 X 射线衍射确定了 2b、3a、3b 和 4b 的分子结构。