[Sm(III)(Me₂N(CH₂)₂N{CH₂-(2-O-3,5-tBu₂-C₆H₂)₂})(Me₂N(CH₂)₂NH{CH₂-(2-O-3,5-tBu₂-C₆H₂)₂})] | 1007122-17-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Sm(III)(Me₂N(CH₂)₂N{CH₂-(2-O-3,5-tBu₂-C₆H₂)₂})(Me₂N(CH₂)₂NH{CH₂-(2-O-3,5-tBu₂-C₆H₂)₂})]
• 英文别名: Sm(O2NNMe2)(HO2NNMe2)；2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]phenolate;2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-oxidophenyl)methyl-[2-(dimethylamino)ethyl]azaniumyl]methyl]phenolate;samarium(3+)
• CAS: 1007122-17-9
• 化学式: C₆₈H₁₀₉N₄O₄Sm
• 分子量: 1197.0
• InChiKey: PYRBFXZIDBUQFX-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  11.76
• 重原子数：
  77
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [(Me2NC2H4N(CH2-2-O-3,5-C6H2(t-Bu)2)2)Sm(N(SiMe3)2)] 、 N,N-bis(3,5-di-t-butyl-2-hydroxybenzyl)-N',N'-dimethylethylenediamine 以 not given 为溶剂， 生成 [Sm(III)(Me₂N(CH₂)₂N{CH₂-(2-O-3,5-tBu₂-C₆H₂)₂})(Me₂N(CH₂)₂NH{CH₂-(2-O-3,5-tBu₂-C₆H₂)₂})]
  参考文献：
  名称：

  Zwitterionic bis(phenolate)amine lanthanide complexes for the ring-opening polymerisation of cyclic esters

  摘要：

  Sm{N(SiMe3)2}3与双酚胺H2O2NR（H2O2NR = RCH2CH2N(2-HO-3,5-C6H2tBu2）；R = OMe、NMe2或Me）的反应主要生成两性离子Sm(O2NR)(HO2NR)。对于R = OMe或NMe2，这些化合物是ε-己内酯和D,L-乳酸开环聚合的有效催化剂，并且有形成环状酯的倾向；而对于R = Me，则未观察到聚合反应。

  DOI：

  10.1039/b714583g

文献信息

• Diamine bis(phenolate) samarium complexes: Synthesis and structures
  作者：José M. Carretas、Sónia Barroso、Jinlan Cui、Adelaide Cruz、Isabel C. Santos、Ana M. Martins

  DOI：10.1016/j.ica.2013.07.051

  日期：2013.10

  Samarium complexes supported by the diamine bis(phenol) proligand H-2((O2NN)-O-tBu2') = Me2N(CH2)(2)-NCH2-(2-OH-3,5-Bu-t(2)-C6H2)(2)} were prepared and structurally characterized. [Sm((O2NN)-O-tBu2')](2)(mu-Cl)(2) (1) was obtained from reaction of SmCl3 with K-2((O2NN)-O-tBu2') in THF, DME or pyridine. The reaction of 1 with LiNEt2 gave a zwitterionic bimetallic complex of Sm and Li, [Sm((O2NN)-O-tBu2')(2)Li] (2) that formed upon ligand redistribution and did not allow the isolation of the expected diethylamido derivative. Analogously treatment of SmN(SiMe3)(2)}(3) with H-2 (O2NN)-O-tBu2' led to a zwitterionic samarium complex [Sm((O2NN)-O-tBu2')((O2N)-O-tBu2(H)N')] (3) that also displays a 2ligand: 1Sm ratio. In 3 the samarium is formally an ate centre and the tripodal nitrogen of one of the ligands is protonated. The reaction of 1 with Li[2-(CH2NMe2)C6H4] proceeded through chloride metathesis to give [Sm((O2NN)-O-tBu2')(kappa(2)-2-(CH2NMe2)-C6H4})] (4). (C) 2013 Elsevier B.V. All rights reserved.