[{(Me₂NCH₂)₂(C₄H₂N)}Li]₂ | 866646-14-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [{(Me₂NCH₂)₂(C₄H₂N)}Li]₂
• 英文别名: [Li(C4H2N(CH2NMe2)2-2,5)]2；dilithium;1-[5-[(dimethylamino)methyl]pyrrol-1-id-2-yl]-N,N-dimethylmethanamine
• CAS: 866646-14-2
• 化学式: C₂₀H₃₆Li₂N₆
• 分子量: 374.428
• InChiKey: NHTQWGULLRXWHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.46
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  15
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [{(Me₂NCH₂)₂(C₄H₂N)}Li]₂ 、 氯化钇 以 乙醚 为溶剂， 以87%的产率得到[(C4H2N(CH2NMe2)2-2,5)YCl2(μ-Cl)Li(OEt2)2]2
  参考文献：
  名称：

  Synthesis and characterization of lithium and yttrium complexes containing tridentate pyrrolyl ligands. Single-crystal X-ray structures of {Li[C4H2N(CH2NMe2)2-2,5]}2 (1) and {[C4H2N(CH2NMe2)2-2,5]YCl2(μ-Cl)·Li(OEt2)2}2 (2) and ring-opening polymerization of ε-caprolactone

  摘要：

  The lithiated pyrrolyl ligand, {Li[C4H2N(CH2NMe2)(2)-2,5]}(2) (1) was synthesized and structurally characterized. Reaction of 1 with YCl3 in the molar ratio 1:1 in diethyl ether at room temperature afforded a di-yttrium di-lithium tetranuclear complex, {[C4H2N(CH2NMe2)(2)-2,5]YCl2(mu-Cl) center dot Li(OEt2)(2)) 2 (2) in 87% yield. Compounds 1 and 2 were characterized by NMR spectroscopy and single crystal X-ray crystallography. Compound I shows high reactivity for the ring-opening polymerization of epsilon-caprolactone. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.06.024

文献信息

• Synthesis and characterization of lithium and yttrium complexes containing tridentate pyrrolyl ligands. Single-crystal X-ray structures of {Li[C4H2N(CH2NMe2)2-2,5]}2 (1) and {[C4H2N(CH2NMe2)2-2,5]YCl2(μ-Cl)·Li(OEt2)2}2 (2) and ring-opening polymerization of ε-caprolactone
  作者：Pei-Cheng Kuo、Jr-Chieng Chang、Wen-Yi Lee、Hon Man Lee、Jui-Hsien Huang

  DOI：10.1016/j.jorganchem.2005.06.024

  日期：2005.9

  The lithiated pyrrolyl ligand, Li[C4H2N(CH2NMe2)(2)-2,5]}(2) (1) was synthesized and structurally characterized. Reaction of 1 with YCl3 in the molar ratio 1:1 in diethyl ether at room temperature afforded a di-yttrium di-lithium tetranuclear complex, [C4H2N(CH2NMe2)(2)-2,5]YCl2(mu-Cl) center dot Li(OEt2)(2)) 2 (2) in 87% yield. Compounds 1 and 2 were characterized by NMR spectroscopy and single crystal X-ray crystallography. Compound I shows high reactivity for the ring-opening polymerization of epsilon-caprolactone. (c) 2005 Elsevier B.V. All rights reserved.