Yb(1,1'-(3-oxa-pentamethylene)dicyclopentadienyl)(1,2-dimethoxyethane) | 174534-88-4

• 分子结构分类: 有机化合物
• 英文名称: Yb(1,1'-(3-oxa-pentamethylene)dicyclopentadienyl)(1,2-dimethoxyethane)
• 英文别名: 5-[2-(2-cyclopenta-2,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene;1,2-dimethoxyethane;ytterbium(2+)
• CAS: 174534-88-4
• 化学式: C₁₈H₂₆O₃Yb
• 分子量: 463.443
• InChiKey: CJKWSVACSXJUIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙二醇二甲醚 、 Yb(1,1'-(3-oxa-pentamethylene)dicyclopentadienyl)(THF)2 以 乙二醇二甲醚 为溶剂， 生成 Yb(1,1'-(3-oxa-pentamethylene)dicyclopentadienyl)(1,2-dimethoxyethane)
  参考文献：
  名称：

  Studies on organolanthanide complexes. LVIII. Syntheses of 1,1′-(3-oxa-pentamethylene) dicyclopentadienyl divalent organolanthanides (Ln = Sm, Yb) and X-ray molecular structure of O(CH2CH2C5H4)2Yb(DME)

  摘要：

  The compounds O(CH2CH2C5H4)(2)Ln(THF)(2) [Ln = Sm(1), Yb(2)] were synthesized by the reduction of O(CH2CH2C5H4)(2)LnCl with sodium metal in tetrahydrofuran (THF) at room temperature. Recrystallization of 2 from dimethoxyethane (DME) produced the single-crystal O(CH2CH2C5H4)(2)Yb(DME) (3) whose structure has been determined by an X-ray diffraction study. The crystals are orthorhombic, space group Pcab, with a = 14.168(4), b = 13.541(6), c = 19.314(8) Angstrom, Z = 8, D-calc. = 1.66 g cm(-3).

  DOI：

  10.1016/0022-328x(95)05608-r