[(η5-C5H5)Nd(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2] | 933453-75-9

• 英文名称: [(η5-C5H5)Nd(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2]
• CAS: 933453-75-9
• 化学式: C₄₃H₆₅NdO₄
• 分子量: 790.227
• InChiKey: HSFSKUQHNFZVPF-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [(η5-C5H5)Nd(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2] 、 异丙醇 以 四氢呋喃 为溶剂， 以87%的产率得到[(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))Nd(μ-OPr-i)(THF)2]2
  参考文献：
  名称：

  Facile synthesis and characterization of neutral carbon-bridged bis(phenolate) lanthanide derivatives

  摘要：

  The reactions of (C5H5)(3)Ln(THF) with 2,2'-ethylene-bis(4,6-di-tert-butylphenol) (EDBPH2) in a 1:1 molar ratio in THF gave the cyclopentadienyl bis(phenolate) lanthanide complexes (C5H5)Ln(EDBP)(THF)(2) (Ln = Yb (1), Sm (2), Nd (3)) in nearly quantitative yields. The coordinated THF can be readily replaced by DME to give (C5H5)Ln(EDBP)(DME) (Ln = Yb (1a), Sm (2a)). Complexes 1 to 3 further reacted with I equivalent of isopropanol in THF to yield the neutral bis(phenolate) lanthanide isopropoxide [(EDBP)(2)Ln(mu-OPri)(THF)(2)](2) (Ln = Yb (4), Sm (5), Nd (6)) in high yields. The definitive molecular structures of complexes 1a, 5 and 6 were determined by X-ray diffraction analysis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.06.019
• 作为产物：
  描述：

  (C5H5)3Nd(THF) 、 2,2′-亚乙基双(4,6-二叔丁基酚) 以 四氢呋喃 为溶剂， 以95%的产率得到[(η5-C5H5)Nd(2,2'-ethylidene-bis(4,6-di-tert-butylphenoxo))(THF)2]
  参考文献：
  名称：

  Facile synthesis and characterization of neutral carbon-bridged bis(phenolate) lanthanide derivatives

  摘要：

  The reactions of (C5H5)(3)Ln(THF) with 2,2'-ethylene-bis(4,6-di-tert-butylphenol) (EDBPH2) in a 1:1 molar ratio in THF gave the cyclopentadienyl bis(phenolate) lanthanide complexes (C5H5)Ln(EDBP)(THF)(2) (Ln = Yb (1), Sm (2), Nd (3)) in nearly quantitative yields. The coordinated THF can be readily replaced by DME to give (C5H5)Ln(EDBP)(DME) (Ln = Yb (1a), Sm (2a)). Complexes 1 to 3 further reacted with I equivalent of isopropanol in THF to yield the neutral bis(phenolate) lanthanide isopropoxide [(EDBP)(2)Ln(mu-OPri)(THF)(2)](2) (Ln = Yb (4), Sm (5), Nd (6)) in high yields. The definitive molecular structures of complexes 1a, 5 and 6 were determined by X-ray diffraction analysis. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.06.019