1,3-Bis-(3,5-bis-benzyloxy-benzyl)-3H-imidazol-1-ium; bromide | 868784-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,3-Bis-(3,5-bis-benzyloxy-benzyl)-3H-imidazol-1-ium; bromide
• CAS: 868784-34-3
• 化学式: Br*C₄₅H₄₁N₂O₄
• 分子量: 753.736
• InChiKey: PBXALTICZMGQPJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  52.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  45.73
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,3-Bis-(3,5-bis-benzyloxy-benzyl)-3H-imidazol-1-ium; bromide 、 silver(l) oxide 以 二氯甲烷 为溶剂， 反应 96.0h， 以83%的产率得到
  参考文献：
  名称：

  Learning about Steric Effects in NHC Complexes from a 1D Silver Coordination Polymer with Fréchet Dendrons

  摘要：

  The complex (NHC)AgBr, which bears wG1 poly(benzyl ether) dendritic substituents in the NHC ligand, forms a 1D coordination polymer based on unusual zigzag -Ag-halide- chains. The asymmetric distribution of the volume buried by the NHC ligand in the Ag coordination sphere is important to explain the formation of this structure. A V-bur eccentricity parameter has been introduced and used in conjunction with the %V-bur descriptor to analyze the X-ray structures of 100 (NHC)AgX complexes.

  DOI：

  10.1021/om401060u
• 作为产物：
  描述：

  3,5-二苄氧基苄溴 以 四氢呋喃 、 丙酮 为溶剂， 反应 19.0h， 生成 1,3-Bis-(3,5-bis-benzyloxy-benzyl)-3H-imidazol-1-ium; bromide
  参考文献：
  名称：

  Learning about Steric Effects in NHC Complexes from a 1D Silver Coordination Polymer with Fréchet Dendrons

  摘要：

  The complex (NHC)AgBr, which bears wG1 poly(benzyl ether) dendritic substituents in the NHC ligand, forms a 1D coordination polymer based on unusual zigzag -Ag-halide- chains. The asymmetric distribution of the volume buried by the NHC ligand in the Ag coordination sphere is important to explain the formation of this structure. A V-bur eccentricity parameter has been introduced and used in conjunction with the %V-bur descriptor to analyze the X-ray structures of 100 (NHC)AgX complexes.

  DOI：

  10.1021/om401060u

文献信息

• Dendrimer N-heterocyclic carbene complexes with rhodium(i) at the core
  作者：Tetsuaki Fujihara、Yasushi Obora、Makoto Tokunaga、Hiromichi Sato、Yasushi Tsuji

  DOI：10.1039/b506927k

  日期：——

  Novel dendrimer N-heterocyclic carbene complexes with rhodium(I) located at the core were synthesized, and a positive dendrimer effect was found in the hydrosilylation of ketones catalyzed by them.

  合成了新型的树枝状大分子N-杂环卡宾配合物，其中的铑（I）位于核心，并在其催化的酮的硅氢加成反应中发现了积极的树枝状大分子效应。