1-methyl-3-(2-brormo)benzylimidazolium bromide | 956590-61-7

• 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: 1-methyl-3-(2-brormo)benzylimidazolium bromide
• 英文别名: 3-(2-Bromobenzyl)-1-methyl-1H-imidazol-3-ium bromide；1-[(2-bromophenyl)methyl]-3-methylimidazol-3-ium;bromide
• CAS: 956590-61-7
• 化学式: Br*C₁₁H₁₂BrN₂
• 分子量: 332.038
• InChiKey: KPYYNAYYYQFINV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.87
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  1-methyl-3-(2-brormo)benzylimidazolium bromide 在 selenium 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 4.0h， 以93%的产率得到1-(2-bromobenzyl)-3-methyl-1H-imidazole-2(3H)-selenone
  参考文献：
  名称：

  A Novel Method for Synthesis of 1, 3-Dialkylimidazole-2-Selenones in Water

  摘要：

  DOI：

  10.1080/10426507.2013.865124

文献信息

• Silver(I) N-heterocyclic carbene halide complexes: A new bonding motif
  作者：Christopher P. Newman、Guy J. Clarkson、Jonathan P. Rourke

  DOI：10.1016/j.jorganchem.2007.07.041

  日期：2007.10

  Two new NHC silver halide salts have been synthesised and structurally characterised, and they show the two most common structural forms for such salts: the (NHC)AgX and the (NHC)(2)Ag+/AgX2- forms (both have a stoichiometry of 1 NHC:1 Ag:1 halide). A third new compound has been synthesised and structurally characterised: this compound has an unprecedented 2 NHC:1 Ag:1 halide stoichiometry and exhibits a planar arrangement of two coordinating NHCs, and a coordinating bromide about the central silver. The Ag-Br bond is long in the solid state and, together with solution NMR data, this suggests that a formulation of (NHC)(2)Ag+Br- might be more appropriate. (C) 2007 Elsevier B.V. All rights reserved.
• An Efficient Synthesis of 1,3-Dialkylimidazole-2-Selenones
  作者：Fengshou Tian、Yahong Chen、Lan Wu、Peng Li、Shiwei Lu

  DOI：10.3184/174751914x14007821182269

  日期：2014.6

  An efficient method for the synthesis of 1,3-dialkylimidazole-2-selenones involves the reaction of 1,3-dialkylimidazole salts with selenium in the presence of potassium carbonate in ethanol or acetone under refluxing conditions to afford the products in good to excellent yields.