N-p-benzylcyanide,N',N''-diisopropylguanidine

• 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: N-p-benzylcyanide,N',N''-diisopropylguanidine
• 英文别名: 1-[4-(Cyanomethyl)phenyl]-2,3-di(propan-2-yl)guanidine
• 化学式: C₁₅H₂₂N₄
• 分子量: 258.366
• InChiKey: UQGSMRLCDHPYNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对氨基苯乙腈 、 N,N'-二异丙基碳二亚胺 在 {(Me₂N)C(NiPr)2}2Ti=N(2,6-Me₂C₆H₃) 作用下， 以 氘代苯 为溶剂， 以47.6%的产率得到N-p-benzylcyanide,N',N''-diisopropylguanidine
  参考文献：
  名称：

  Catalytic Construction and Reconstruction of Guanidines:  Ti-Mediated Guanylation of Amines and Transamination of Guanidines

  摘要：

  Bis(guanidinate) titanium imido complexes [{(Me2N)C(NiPr)2}2TiNAr'] (Ar' = 2,6-Me2C6H3 (1a); C6F5 (1b)) are competent catalysts for the guanylation of a variety of arylamines with carbodiimide. The reversible [2 + 2] addition of iPrN=C=NiPr to 1b is demonstrated and is proposed to be part of the catalytic cycle. Compounds 1a and 1b are also effective precatalysts for the transamination of trialkylguanidines with arylamines to yield aryldialkylguanidines.

  DOI：

  10.1021/ja035716j

文献信息

• Catalytic Construction and Reconstruction of Guanidines:  Ti-Mediated Guanylation of Amines and Transamination of Guanidines
  作者：Tiow-Gan Ong、Glenn P. A. Yap、Darrin S. Richeson

  DOI：10.1021/ja035716j

  日期：2003.7.1

  Bis(guanidinate) titanium imido complexes [(Me2N)C(NiPr)2}2TiNAr'] (Ar' = 2,6-Me2C6H3 (1a); C6F5 (1b)) are competent catalysts for the guanylation of a variety of arylamines with carbodiimide. The reversible [2 + 2] addition of iPrN=C=NiPr to 1b is demonstrated and is proposed to be part of the catalytic cycle. Compounds 1a and 1b are also effective precatalysts for the transamination of trialkylguanidines with arylamines to yield aryldialkylguanidines.