[Lu(C5H4Bu(t))2(C4H7S2-1,3)] * LiCl * 2 tetrahydrofuran | 169965-64-4

• 英文名称: [Lu(C5H4Bu(t))2(C4H7S2-1,3)] * LiCl * 2 tetrahydrofuran
• CAS: 169965-64-4
• 化学式: C₃₀H₄₉ClLiLuO₂S₂
• 分子量: 723.211
• InChiKey: FCOFXBMXHDYFHD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-lithio-1,3-dithiane 、 以 not given 为溶剂， 生成 [Lu(C5H4Bu(t))2(C4H7S2-1,3)] * LiCl * 2 tetrahydrofuran
  参考文献：
  名称：

  New organolanthanide complexes containing a σ-bonded 1,3-dithiane. Crystal structures of [M(C₅H₄Bu^t)₂(C₄H₇S₂-1,3)]·LiCl·2thf (M = Lu or Y; thf = tetrahydrofuran)

  摘要：

  New complexes of Y and Lu have been synthesized and fully characterized by single-crystal X-ray analysis: [M(C(5)H(4)Bu(t))(2)(C4H7S2-1,3)]. LiCl . 2thf (M = Lu 1 or Y 2, thf = tetrahydrofuran). Both complexes crystallize from pentane at O degrees C. The crystal of 1 has space group P ($) over bar 1 with a = 11.489(4). b = 14.438(6), c = 20.217(4) Angstrom, a = 94.16(3), beta = 89.76(2) and gamma = 97.58(3)degrees. Least-square refinements based on 5881 reflections [l > 2.0 sigma(I)] converged to a final R = 0.072. Complex 2 crystallizes in orthorhombic unit cell and space group Pbca with a = 14.744(6), b = 21.148(7) and c = 21.472(6).Angstrom. Least-squares refinement based on 1570 reflections' [l > 2.0 sigma(I)] converged to a final R = 0.081. The complexes contain the anion of 1,3-dithiane included into a pentagonal coordination ring formed by M (Lu or Y), C, S, Li and Cl atoms. 1,3-Dithiane is sigma bonded to the metal (Y or Lu) through the 2-carbon atom. Proton and C-13 NMR spectra suggest high conformational stability of the 1,3-dithiane ring in solution at room temperature. The complexes react with protonic acids such as water, NH(SiMe(3))(2) and HC=CPh releasing free 1,3-dithiane and forming corresponding cyclopentadienyl derivatives.

  DOI：

  10.1039/dt9950002679