| 1261530-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1261530-35-1
• 化学式: C₅₁H₇₂MgN₂O₃
• 分子量: 785.449
• InChiKey: HMGYEIYFUQRNQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [(XA2)2ThCl2(dme)] 在 苄基氯化镁 作用下， 以 乙醚 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Divergent reactivity of [(κ3-L)ThCl2(dme)] with Grignard reagents: Alkylation, ancillary ligand transfer to magnesium, and halide exchange caught in the act

  摘要：

  Reaction of [(BDPP)ThCl2(dme)] (1) with 2 equivalents of MeMgBr in OEt2, followed by filtration and layering a toluene solution with hexanes at -30 degrees C yielded a single large crystal of [{(BDPP)ThX (mu-X)(2)Mg(OEt2)(mu-Me)}(2)]center dot 2 toluene (X = Br0.73-0.87/Cl0.13-0.27; 3 center dot 2 toluene). This product is the result of halide exchange to form a partially brominated neutral thorium species, which is adducted with MeMgX(OEt2). The complex is then tetrametallic as a result of Mg-Me-Mg bridges. The structure of complex 3 provides direct insight into the process by which halide exchange takes place between electrophilic metal halide complexes and Grignard reagents. This reactivity stands in stark contrast to the reactions of 1 and [(XA(2))ThCl2(dme)] (2) with PhCH2MgCl. In these cases the expected dialkyl products, [LTh(CH2Ph)(2)] [L = BDPP (4) and XA(2) (5)], were formed under most conditions. However, addition of a PhCH2MgCl solution to 2 at -78 degrees C and warming to room temperature after 5 minutes gave [(XA(2))Mg(dme)] (6), the product of ancillary ligand transfer from thorium to magnesium, in 30 -50% yield. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.08.048