1-[3-[[N,N'-di(propan-2-yl)carbamimidoyl]amino]-4-methylphenyl]-2,3-di(propan-2-yl)guanidine | 1342886-10-5

• 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: 1-[3-[[N,N'-di(propan-2-yl)carbamimidoyl]amino]-4-methylphenyl]-2,3-di(propan-2-yl)guanidine
• CAS: 1342886-10-5
• 化学式: C₂₁H₃₈N₆
• 分子量: 374.573
• InChiKey: RMGFJADBFXPJQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  72.8
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4-二氨基甲苯 、 N,N'-二异丙基碳二亚胺 在 [Li(THF)(DME)]3La[μ-η2η1(iPrN)2C(NC6H4p-Cl)]3 作用下， 反应 2.0h， 以98%的产率得到1-[3-[[N,N'-di(propan-2-yl)carbamimidoyl]amino]-4-methylphenyl]-2,3-di(propan-2-yl)guanidine
  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

文献信息

• Heterobimetallic dianionic guanidinate complexes of lanthanide and lithium: highly efficient precatalysts for catalytic addition of amines to carbodiimides to synthesize guanidines
  作者：Xingmin Zhang、Chuanyong Wang、Cunwei Qian、Fubin Han、Fan Xu、Qi Shen

  DOI：10.1016/j.tet.2011.08.072

  日期：2011.11

  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.