(cyclopentadienyl)Nb(2,2'-methylenebis(6-tert-butyl-4-methylphenoxo))(tetrahydrofuran)2 | 860400-33-5

• 英文名称: (cyclopentadienyl)Nb(2,2'-methylenebis(6-tert-butyl-4-methylphenoxo))(tetrahydrofuran)2
• 英文别名: [(2,2'-methylene-bis(6-tert-butyl-4-methylphenoxo))Nd(cyclopentadienyl)(THF)2]
• CAS: 860400-33-5
• 化学式: C₃₆H₅₁NdO₄
• 分子量: 692.039
• InChiKey: YXGFTYPUEHEABR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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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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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (cyclopentadienyl)Nb(2,2'-methylenebis(6-tert-butyl-4-methylphenoxo))(tetrahydrofuran)2 、 水 以 四氢呋喃 为溶剂， 以71%的产率得到[(2,2'-methylene-bis(6-tert-butyl-4-methylphenoxo))Nd(μ-OH)(THF)2]2
  参考文献：
  名称：

  Synthesis, reactivity and structural characterization of lanthanide hydroxides stabilized by a carbon-bridged bis(phenolate) ligand

  摘要：

  The synthesis of lanthanide hydroxo complexes stabilized by a carbon-bridged bis(phenolate) ligand 2,2'-methylene-bis(6-tert-butyl-4-methylphenoxo) (MBMP2-) was described, and their reactivity toward phenyl isocyanate was explored. Reactions of (MBMP)Ln(C5H5)(THF)(2) with a molar equiv. of water in THF at -78 degrees C afforded the bis(phenolate) lanthanide hydroxides as dimers [{(MBMP)Ln(mu-OH)(THF)(2)}(2)] [Ln = Nd (1), Yb (2)] in high yields. Complexes 1 and 2 reacted with phenyl isocyanate in THF, after workup, to give the desired O-H addition products, [(MBMP)Ln(mu-eta(1):eta(2)-O2CNHPh)(THF)(2)](2) [Ln = Nd (3), Yb (4)] in excellent isolated yields. These complexes were well characterized, and the molecular structures of complexes 2 to 4 were determined by X-ray crystallography. The ytterbium atom in complex 2 is coordinated to six oxygen atoms to form a distorted octahedral geometry, whereas each metal center in complexes 3 and 4 is seven-coordinated, and the coordination geometry can be best described as a distorted pentagonal bipyramid. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.11.031
• 作为产物：
  描述：

  四氢呋喃 、 tris(cyclopentadienyl)neodymium 、 2,2'-亚甲基双-(4-甲基-6-叔丁基苯酚) 以 四氢呋喃 为溶剂， 以99%的产率得到(cyclopentadienyl)Nb(2,2'-methylenebis(6-tert-butyl-4-methylphenoxo))(tetrahydrofuran)2
  参考文献：
  名称：

  Carbon-Bridged Bis(phenolato)lanthanide Alkoxides:  Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone

  摘要：

  A convenient method for the synthesis of lanthanide alkoxo complexes supported by a carbon-bridged bis(phenolate) ligand 2,2'-methylenebis(6-tert-butyl-4-methylphenoxo) (MBMP2-) is described. The reaction Of (C5H5)(3)Nd with MBMPH2 in a 1:1 molar ratio in THF gave the bis(phenolato)lanthanide complex (C5H5)Nd(MBMP)(THF)(2) (1) in a nearly quantitative yield. Complex 1 further reacted with 1 equiv of 2-propanol in THF to yield the bis(phenolato)-lanthanide isopropoxide [(MBMP)(2)Nd(mu-OPri)(THF)(2)](2) (2) in high yield. Complex 2 can also be synthesized by the direct reaction Of (C5H5)3Nd with MBMPH2 in a 1:1 molar ratio and then with 1 equiv of 2-propanol in situ in THF. Thus, the analogue bis(phenolato)lanthanide alkoxides [(MBMP)(2)Ln(mu-OR)(THF)(2)](2) [R = Pr-i, Ln = Yb (3); R = Me, Ln = Nd (4), Yb (5); R = CH2Ph, Ln = Nd (6), Yb (7)] were obtained by the reactions of (C5H5)(3)Ln (Ln = Nd, Yb) with MBMPH2 and then with 2-propanol, methanol, or benzyl alcohol, respectively. The ytterbium complex {[(MBMP)(2)Yb(THF)(2)](2)(mu-OCH2Ph)(mu-OH)} (8) was also isolated as a byproduct. The single-crystal structural analyses of complexes 1-3 and 8 revealed that the coordination geometry around lanthanide metal can be best described as a distorted tetrahedron in complex 1 and as a distorted octahedron in complexes 2, 3, and 8. A O-H... Yb agostic interaction was observed in complex 8. Complexes 2-7 were shown to be efficient catalysts for the controlled polymerization of e-caprolactone.

  DOI：

  10.1021/ic050022s