sodium tetrahydrofurfurylcyclopentadienyl | 160516-38-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sodium tetrahydrofurfurylcyclopentadienyl
• 英文别名: sodium;2-(cyclopenta-2,4-dien-1-ylmethyl)oxolane
• CAS: 160516-38-1
• 化学式: C₁₀H₁₃O*Na
• 分子量: 172.202
• InChiKey: UTMYAWZMWHZBFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.87
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  氯化镝(III) 、 sodium tetrahydrofurfurylcyclopentadienyl 以 四氢呋喃 为溶剂， 以52%的产率得到bis(η5-tetrahydrofurfurylcyclopentadienyl)dysprosium chloride
  参考文献：
  名称：

  Synthesis and studies on reactivities of tetrahydrofurfurylcyclopentadienyl lanthanide chlorides CpsLnCl2·2THF (Ln=Dy, Ho, Gd) and Cps2LnCl·(Ln=Sm, Dy). The crystal structures of Cps2SmCl and Cps2Sm·(C3N2HMe2)

  摘要：

  Reactions of lanthanide trichloride with two or one equivalent of tetrahydrofurfurylcyclopentadienyl (Cp-s) sodium salt in THF afford bis(tetrahydrofurfurylcyclopentadienyl)lanthanide chloride complexes Cp(2)(5)LnCl [Ln = Sm (1), Dy (2)] and mono(tetrahydrofurfurylcyclopentadienyl)lanthanide dichloride complexes Cp(s)LnCl(2).2THF [Ln = Dy (3), Ho (4), Gd (9)], respectively. Treatment of 1 with one equivalent of NaPzMe(2) (PzMe(2) = 3,5-dimethylpyrazolate) forms Cp(2)(5)SmPzMe(2) (6). Complex 3 reacts with one equivalent of CpNa to yield the mixed-ring complex [(CpCpDyCl)-Cp-s](2) (7). Complexes 1-7 have been characterized by elemental analyses, infrared and mass spectroscopies. The X-ray structural analyses show that 1 and 6 are unsolvated monomers. In complex 1, the Sm atom is surrounded by two Cp-s rings, one chlorine atom and two oxygen atoms of the side-chain to form a distorted trigonal bipyramid. The coordination number of central metal is nine. In complex 6, the Sm atom is coordinated by two Cp-s rings, two nitrogen atoms of 3,5-dimethylpyrazolate, and two oxygen atoms of the side-chain with a distorted tetragonal bipyramid geometry. The coordination number of the Sm atom is ten. The investigation result shows that the strong intramolecular chelating coordination and the high steric crowding result in the lower activity of 6 toward methyl methacrylate polymerization. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00500-3