| 1342886-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1342886-13-8
• 化学式: C₂₄H₃₈N₆
• 分子量: 410.606
• InChiKey: VLPODWVJLDFBAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.84
• 氢给体数：
  4.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  N,N'-二异丙基碳二亚胺 、 1,5-萘二胺 在 [Li(THF)(DME)]3La[μ-η2η1(iPrN)2C(NC6H4p-Cl)]3 作用下， 反应 2.0h， 以95%的产率得到
  参考文献：
  名称：

  Heterobimetallic dianionic guanidinate complexes of lanthanide and lithium: highly efficient precatalysts for catalytic addition of amines to carbodiimides to synthesize guanidines

  摘要：

  A series of heterobimetallic dianionic guanidinate complexes of lanthanide and lithium, [Li(TH-F)(DME)](3)Ln[mu-eta(2)eta(1)((PrN)-Pr-i)(2)C(NC(6)H(4)p-R)](3) (R=Cl, Ln=Nd (I), Y (II), La (III); R=H, Ln=Nd (IV)] were synthesized and fully characterized. These complexes were found to be highly efficient precatalysts for the addition of various primary and secondary amines, and aromatic and aliphatic diamines to carbodiimides to give the corresponding monoguanidine and biguanidine derivatives under mild condition (at 25-60 degrees C), which provides an efficient way for the synthesis of biguanidines compounds. The activity depends on the central metals and ligands: La>Nd>Y for the metals and [((PrN)-Pr-i)(2)C(NC6H4P-Cl)](2-)> [((PrN)-Pr-i)(2)C(NC6H5)](2-) for the ligands were observed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.08.072