Er(CH2C6H4-o-NMe2)3 | 65521-46-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Er(CH2C6H4-o-NMe2)3
• 英文别名: erbium(3+);2-methanidyl-N,N-dimethylaniline
• CAS: 65521-46-2
• 化学式: C₂₇H₃₆ErN₃
• 分子量: 569.863
• InChiKey: XJJNUUJHMLDQJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-indenyl-1,2-carborane 、 Er(CH2C6H4-o-NMe2)3 以 四氢呋喃 为溶剂， 以82%的产率得到[(η5:σ-(C9H6)C2B10H10)Er(CH2C6H4-o-NMe2)(THF)2]
  参考文献：
  名称：

  Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η⁵:σ-(C₉H₆)C₂B₁₀H₁₀]²⁻

  摘要：

  Interaction of 1-indenyl-1,2-carborane (1) with 2 equiv of KH in refluxing THF gave the dipotassium salt [K-2][(C9H6)C2B10H10]. Treatment of [K-2][(C9H6)C2B10H10] with 1 equiv of LnCl(3) in THF generated the ionic complex [K(THF)(6)][{eta(5):sigma-(C9H6)C2B10H10}(2)La(THF)] (2) for early lanthanide or organolanthanide chloride complexes [{eta(5):sigma-(C9H6)C2B10H10}Ln(THF)(2)(mu-Cl)(2)K(THF)(2)](2) (Ln = Y (3a), Gd (3b), Er (3c), Yb (3d)) for late lanthanides. Reaction of 3 with nucleophile NaCp or KCH2C6H4-o-NMe2 afforded the corresponding salt metathesis products [eta 5:sigma-(C9H6)C2B10H10]Ln(eta(5)-C5H5)(THF)(2) (Ln = Y (4a), Gd (4b)) or [eta(5):sigma-(C9H6)C2B10H10]Ln(CH2C6H4-o-NMe2)(DME) (Ln = Y (5a), Er (5c)), respectively. Complexes 5 were also synthesized via the alkane elimination reaction of 1-indenyl-1,2-carborane with Ln(CH2C6H4-o-NMe2)(3). They represent the first examples of organolanthanide alkyl complexes incorporating a carboranyl ligand. These complexes were fully characterized by various spectroscopic techniques and elemental analyses. Some were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/om8006344
• 作为产物：
  描述：

  氯化铒(III) 、 2-(dimethylamino)benzyllithium 以 乙醚 、 甲苯 为溶剂， 以55%的产率得到Er(CH2C6H4-o-NMe2)3
  参考文献：
  名称：

  Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η⁵:σ-(C₉H₆)C₂B₁₀H₁₀]²⁻

  摘要：

  Interaction of 1-indenyl-1,2-carborane (1) with 2 equiv of KH in refluxing THF gave the dipotassium salt [K-2][(C9H6)C2B10H10]. Treatment of [K-2][(C9H6)C2B10H10] with 1 equiv of LnCl(3) in THF generated the ionic complex [K(THF)(6)][{eta(5):sigma-(C9H6)C2B10H10}(2)La(THF)] (2) for early lanthanide or organolanthanide chloride complexes [{eta(5):sigma-(C9H6)C2B10H10}Ln(THF)(2)(mu-Cl)(2)K(THF)(2)](2) (Ln = Y (3a), Gd (3b), Er (3c), Yb (3d)) for late lanthanides. Reaction of 3 with nucleophile NaCp or KCH2C6H4-o-NMe2 afforded the corresponding salt metathesis products [eta 5:sigma-(C9H6)C2B10H10]Ln(eta(5)-C5H5)(THF)(2) (Ln = Y (4a), Gd (4b)) or [eta(5):sigma-(C9H6)C2B10H10]Ln(CH2C6H4-o-NMe2)(DME) (Ln = Y (5a), Er (5c)), respectively. Complexes 5 were also synthesized via the alkane elimination reaction of 1-indenyl-1,2-carborane with Ln(CH2C6H4-o-NMe2)(3). They represent the first examples of organolanthanide alkyl complexes incorporating a carboranyl ligand. These complexes were fully characterized by various spectroscopic techniques and elemental analyses. Some were further confirmed by single-crystal X-ray analyses.

  DOI：

  10.1021/om8006344

文献信息

• Synthesis, structure and reactivity of rare-earth metallacarborane alkyls [η¹:η⁵-O(CH₂)₂C₂B₉H₉]Ln(σ:η¹-CH₂C₆H₄-o-NMe₂)(THF)₂
  作者：Jingying Yang、Zuowei Xie

  DOI：10.1039/c5dt00095e

  日期：——

  Rare-earth metallacarborane alkyls have been prepared for the first time, which react with unsaturated organic molecules to give either mono- or di-insertion products depending on the nature of the substrates.

  首次制备了稀土金属卡烷基烷基，其与不饱和有机分子反应，根据底物的性质，可以得到单插入产物或双插入产物。
• Luminescent Er³⁺ based single molecule magnets with fluorinated alkoxide or aryloxide ligands
  作者：Alexander N. Selikhov、Gautier Félix、Dmitry M. Lyubov、Yulia V. Nelyubina、Anton V. Cherkasov、Saad Sene、Ilya V. Taydakov、Mikhail T. Metlin、Andrey A. Tyutyunov、Yannick Guari、Joulia Larionova、Alexander A. Trifonov

  DOI：10.1039/d3dt04375d

  日期：2024.4.2

  We report the synthesis, structures, and magnetic and luminescence properties of a series of new mono- and dinuclear Er3+ complexes derived from sterically demanding aryloxide and fluorinated alkoxide ligands: [4-tBu-2,6-(Ph2CH)2C6H2O]3Er(THF) (1), [(C6F5)3CO]3Er(Me3SiOH) (2), [(C6F5)3CO]3Er[(Me3Si)2NH] (3), [(C6F5)3CO]3Er(C6H5CH3) (4), [(C6F5)3CO]3Er(o-Me2NC6H4CH3) (5) and [Ph(CF3)2CO]2Er(μ2-OC(CF3)2Ph)}2

  我们报道了一系列新型单核和双核 Er 3+配合物的合成、结构以及磁性和发光性质，这些配合物衍生自空间要求较高的芳氧基和氟化醇盐配体：[4- t Bu-2,6-(Ph 2 CH) 2 C 6 H 2 O] 3 Er(THF) ( 1 ), [(C 6 F 5 ) 3 CO] 3 Er(Me 3 SiOH) ( 2 ), [(C 6 F 5 ) 3 CO] 3 Er[ (Me 3 Si) 2 NH] ( 3 ), [(C 6 F 5 ) 3 CO] 3 Er(C 6 H 5 CH 3 ) ( 4 ), [(C 6 F 5 ) 3 CO] 3 Er( o -Me 2 NC 6 H 4 CH 3 ) ( 5 ) 和d [Ph(CF 3 ) 2 CO] 2 Er(μ 2 -OC(CF 3 ) 2 Ph)} 2 ( 6 )。在化合物1 、 2和4中，Er 3+离子是四配位的，并采用扭曲的三角锥几何形状，而在3
• Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η⁵:σ-(C₉H₆)C₂B₁₀H₁₀]²⁻
  作者：Hao Shen、Hoi-Shan Chan、Zuowei Xie

  DOI：10.1021/om8006344

  日期：2008.10.27

  Interaction of 1-indenyl-1,2-carborane (1) with 2 equiv of KH in refluxing THF gave the dipotassium salt [K-2][(C9H6)C2B10H10]. Treatment of [K-2][(C9H6)C2B10H10] with 1 equiv of LnCl(3) in THF generated the ionic complex [K(THF)(6)][eta(5):sigma-(C9H6)C2B10H10}(2)La(THF)] (2) for early lanthanide or organolanthanide chloride complexes [eta(5):sigma-(C9H6)C2B10H10}Ln(THF)(2)(mu-Cl)(2)K(THF)(2)](2) (Ln = Y (3a), Gd (3b), Er (3c), Yb (3d)) for late lanthanides. Reaction of 3 with nucleophile NaCp or KCH2C6H4-o-NMe2 afforded the corresponding salt metathesis products [eta 5:sigma-(C9H6)C2B10H10]Ln(eta(5)-C5H5)(THF)(2) (Ln = Y (4a), Gd (4b)) or [eta(5):sigma-(C9H6)C2B10H10]Ln(CH2C6H4-o-NMe2)(DME) (Ln = Y (5a), Er (5c)), respectively. Complexes 5 were also synthesized via the alkane elimination reaction of 1-indenyl-1,2-carborane with Ln(CH2C6H4-o-NMe2)(3). They represent the first examples of organolanthanide alkyl complexes incorporating a carboranyl ligand. These complexes were fully characterized by various spectroscopic techniques and elemental analyses. Some were further confirmed by single-crystal X-ray analyses.