[Li(DME)3][Yb((CH3)3SiNC(C6H5)N(CH2)3NC(C6H5)NSi(CH3)3)2] | 1041636-77-4

• 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: [Li(DME)3][Yb((CH3)3SiNC(C6H5)N(CH2)3NC(C6H5)NSi(CH3)3)2]
• 英文别名: lithium;1,2-dimethoxyethane;(C-phenyl-N-trimethylsilylcarbonimidoyl)-[3-(C-phenyl-N-trimethylsilylcarbonimidoyl)azanidylpropyl]azanide;ytterbium(3+)
• CAS: 1041636-77-4
• 化学式: C₁₂H₃₀LiO₆*C₄₆H₆₈N₈Si₄Yb
• 分子量: 1295.79
• InChiKey: BJFZZAGXQNMUKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.22
• 重原子数：
  78
• 可旋转键数：
  29
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (Me3SiNC(Ph)N(CH2)3NC(Ph)NSiMe3)YbCl(tetrahydrofuran)2 、 [Li(DME)3][Yb((CH3)3SiNC(C6H5)N(CH2)3NC(C6H5)NSi(CH3)3)2] 以 四氢呋喃 为溶剂， 以61%的产率得到Yb2(μ2-(CH3)3SiNC(C6H5)N(CH2)3NC(C6H5)NSi(CH3)3)3*DME
  参考文献：
  名称：

  Bridged bis(amidinate) lanthanide complexes: Synthesis, molecular structure and reactivity

  摘要：

  The yttrium chloride with the bridged bis(amidinate) L (L = Me3SiNC(Ph)N(CH2)(3)NC(Ph)NSiMe3) LYCl(DME) (2) was synthesized and structurally characterized. Treatment of LLnCl(sol)(x) (Ln = Yb, sol = THF, x = 2 1; Ln = Y, sol = DME, x = 1 2) with the dilithium salt Li2L(THF)(0.5) afforded the novel bimetallic lanthanide complexes supported by three ligands, Ln(2)(mu(2)-L)(3)center dot DME (Ln = Yb 3, Y 4; DME = dimethylether), instead of the designed complex LLn(mu(2)-L)LnL via the ligand redistribution reaction. Complexes 3 and 4 were fully characterized including X-ray analysis and H-1 NMR spectrum for 4. Reaction of LnCl(3) (Ln = Yb, Y) with 2 equiv. of Li2L(THF)(0.5) gave the anionic complexes [Li(DME)(3)] [L(2)Ln] (Ln = Yb 5, Y 6), which were confirmed by a crystal structure determination. The further study indicated that complexes 3 and 4 can also be synthesized by reaction of LnCl(3) (Ln = Yb, Y) with 1.5 equiv. of Li2L(THF)0.5 or reaction of 1 and 2 with anionic complexes 5 and 6. Complexes 3, 4, 5 and 6 were found to be high active catalysts for ring-opening polymerization of c-caprolactone (CL). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.03.006
• 作为产物：
  描述：

  乙二醇二甲醚 、 氯化镱(III) 、 以 四氢呋喃 为溶剂， 以75%的产率得到[Li(DME)3][Yb((CH3)3SiNC(C6H5)N(CH2)3NC(C6H5)NSi(CH3)3)2]
  参考文献：
  名称：

  Bridged bis(amidinate) lanthanide complexes: Synthesis, molecular structure and reactivity

  摘要：

  The yttrium chloride with the bridged bis(amidinate) L (L = Me3SiNC(Ph)N(CH2)(3)NC(Ph)NSiMe3) LYCl(DME) (2) was synthesized and structurally characterized. Treatment of LLnCl(sol)(x) (Ln = Yb, sol = THF, x = 2 1; Ln = Y, sol = DME, x = 1 2) with the dilithium salt Li2L(THF)(0.5) afforded the novel bimetallic lanthanide complexes supported by three ligands, Ln(2)(mu(2)-L)(3)center dot DME (Ln = Yb 3, Y 4; DME = dimethylether), instead of the designed complex LLn(mu(2)-L)LnL via the ligand redistribution reaction. Complexes 3 and 4 were fully characterized including X-ray analysis and H-1 NMR spectrum for 4. Reaction of LnCl(3) (Ln = Yb, Y) with 2 equiv. of Li2L(THF)(0.5) gave the anionic complexes [Li(DME)(3)] [L(2)Ln] (Ln = Yb 5, Y 6), which were confirmed by a crystal structure determination. The further study indicated that complexes 3 and 4 can also be synthesized by reaction of LnCl(3) (Ln = Yb, Y) with 1.5 equiv. of Li2L(THF)0.5 or reaction of 1 and 2 with anionic complexes 5 and 6. Complexes 3, 4, 5 and 6 were found to be high active catalysts for ring-opening polymerization of c-caprolactone (CL). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.03.006

文献信息

• Bridged bis(amidinate) lanthanide complexes: Synthesis, molecular structure and reactivity
  作者：Junfeng Wang、Hongmei Sun、Yingming Yao、Yong Zhang、Qi Shen

  DOI：10.1016/j.poly.2008.03.006

  日期：2008.6

  The yttrium chloride with the bridged bis(amidinate) L (L = Me3SiNC(Ph)N(CH2)(3)NC(Ph)NSiMe3) LYCl(DME) (2) was synthesized and structurally characterized. Treatment of LLnCl(sol)(x) (Ln = Yb, sol = THF, x = 2 1; Ln = Y, sol = DME, x = 1 2) with the dilithium salt Li2L(THF)(0.5) afforded the novel bimetallic lanthanide complexes supported by three ligands, Ln(2)(mu(2)-L)(3)center dot DME (Ln = Yb 3, Y 4; DME = dimethylether), instead of the designed complex LLn(mu(2)-L)LnL via the ligand redistribution reaction. Complexes 3 and 4 were fully characterized including X-ray analysis and H-1 NMR spectrum for 4. Reaction of LnCl(3) (Ln = Yb, Y) with 2 equiv. of Li2L(THF)(0.5) gave the anionic complexes [Li(DME)(3)] [L(2)Ln] (Ln = Yb 5, Y 6), which were confirmed by a crystal structure determination. The further study indicated that complexes 3 and 4 can also be synthesized by reaction of LnCl(3) (Ln = Yb, Y) with 1.5 equiv. of Li2L(THF)0.5 or reaction of 1 and 2 with anionic complexes 5 and 6. Complexes 3, 4, 5 and 6 were found to be high active catalysts for ring-opening polymerization of c-caprolactone (CL). (C) 2008 Elsevier Ltd. All rights reserved.