| 154359-71-4

• CAS: 154359-71-4
• 化学式: C₃₄H₃₄O₂Sm
• 分子量: 625.003
• InChiKey: OULOOBDAMQWVLZ-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：
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• 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：

  9-fluorenylpotassium 、 samarium diiodide bis(tetrahydrofuran) 以 四氢呋喃 为溶剂， 以>99.9的产率得到
  参考文献：
  名称：

  Synthesis and Structure of New Soluble Organosamarium(II) Reagents: (indenyl)2Sm(THF) and (fluorenyl)2Sm(THF)2

  摘要：

  Samarium diiodide reacts with potassium indenide and potassium fluorenide to form new THF-soluble samarium(II) reagents, the bis(indenyl) complex (C9H7)2Sm(THF) (1) and the bis(fluorenyl) complex (C13H9)2Sm(THF)2 (2). Crystallographic data for 2 and the trisolvated derivative of 1, namely (C9H7)2Sm(THF)3 (1a), show that they have monometallic bent-metallocene structures analogous to the pentamethylcyclopentadienyl derivative (C5Me5)2Sm(THF)2 (3). 1a crystallizes from THF in space group C2/c with a = 15.013(7) angstrom, b = 10.677(4) angstrom, c = 19.132(17) angstrom, beta = 93.87(6)degrees, V = 3059(3) angstrom3, and Z = 4 for D(calcd) = 1.34 Mg/m3. 2 crystallizes from toluene/THF in space group P2(1)/n (C5(2h); No. 14) with a = 11.810(2) angstrom, b = 14.153(3) angstrom, c = 16.001(4) angstrom, beta = 97.60(2)degrees, V = 2651.1(9) angstrom3, and Z = 4 for D(calcd) = 1.566 Mg/m3. Least-squares refinement of the model based on 2953 reflections (\F(o)\ > 2.0sigma(\F(o\)) converged to a final R(F) = 4.8%. The structural data indicate that the bis(indenyl) and bis(fluorenyl) ligand sets provide a more open Sm(II) reaction environment than in 3.

  DOI：

  10.1021/om00016a034