N,N',N''-tris(3-dimethylaminopropyl)-guanidine | 502501-74-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N',N''-tris(3-dimethylaminopropyl)-guanidine
• 英文别名: N,N',N"-tris(3-dimethylaminopropyl)-guanidine；N,N',N''-Tris[3-(dimethylamino)propyl]guanidine；1,2,3-tris[3-(dimethylamino)propyl]guanidine
• CAS: 502501-74-8
• 化学式: C₁₆H₃₈N₆
• 分子量: 314.518
• InChiKey: YJPGEMQTUWZXKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  46.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-二[3-(二甲氨基)丙基]硫代脲 在 mercury(II) oxide 作用下， 以 四氢呋喃 为溶剂， 反应 26.0h， 生成 N,N',N''-tris(3-dimethylaminopropyl)-guanidine
  参考文献：
  名称：

  Synthesis and properties of novel guanidine bases. N,N′,N″-Tris(3-dimethylaminopropyl)-guanidine

  摘要：

  The synthesis of novel N,N',N''-tris(3-dimethylaminopropyl)-guanidine 1 is described and X-ray structure of its hexafluorophosphate salt measured (1H center dot PF6). The hydrogen bonding in protonated 1 and in 1H center dot PF6 is also discussed. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2005.10.035

文献信息

• [EN] N, N', N''-TRIS-(3-DIMETHYLAMINOPROPYL)-GUANIDINE. THE PROCEDURE OF PREPARATION FROM CARBODIIMIDE AND APPLICATION IN REACTIONS OF TRANSESTERIFICATION OF OIL<br/>[FR] N, N', N''-TRIS-(3-DIMETHYLAMINOPROPYL)-GUANIDINE. PROCEDE DE PREPARATION ET APPLICATION DANS LA TRANSESTERIFICATION D'HUILES VEGETALES
  申请人：RUDER BOSKOVIC INST

  公开号：WO2005100306A1

  公开（公告）日：2005-10-27

  The present invention provides procedures for preparation of N, N', N''-tris-(3-dimethylaminopropyl)-guanidine by addition of 3-dimethylaminopropylamine to N1, N3-bis-(3-dimethylaminopropyl)-carbodiimide. The latter compound was prepared in two steps starting from commercially available 3-dimethylaminpropyl amine and carbon disulfide followed by desulfurization of the formed thiourea with yellow mercury(II)-oxide. The so obtained guanidine derivative was successfully applied as catalyst in the transesterification of sunflower, soybean and rapeseed oil.

  本发明提供了一种通过将3-二甲基氨基丙胺加入N1, N3-双(3-二甲基氨基丙基)-碳酰亚胺制备N, N', N''-三-(3-二甲基氨基丙基)-胍的方法。后一种化合物是通过从商业可获得的3-二甲基氨基丙胺和二硫化碳开始的两步法制备的，随后用二氧化汞(II)对生成的硫氨基脲进行脱硫。所得的胍衍生物成功地应用于向日葵、大豆和油菜籽油的酯交换反应中作为催化剂。
• N, N", N""-TRIS-(3-DIMETHYLAMINOPROPYL)-GUANIDINE. THE PROCEDURE OF PREPARATION FROM CARBODIIMIDE AND APPLICATION IN REACTIONS OF TRANSESTERIFICATION OF OIL
  申请人：RUDJER BOSKOVIC INSTITUTE

  公开号：EP1786763A1

  公开（公告）日：2007-05-23
• N, N', N"-TRIS-(3-DIMETHYLAMINOPROPYL)-GUANIDINE, THE PROCEDURE OF PREPARATION FROM CARBODIIMIDE AND APPLICATION IN REACTIONS OF TRANSESTERIFICATION OF OIL
  申请人：RUDJER BOSKOVIC INSTITUTE

  公开号：EP1786763B1

  公开（公告）日：2009-09-16
• Synthesis and properties of novel guanidine bases. N,N′,N″-Tris(3-dimethylaminopropyl)-guanidine
  作者：Zoran Glasovac、Borislav Kovačević、Ernest Meštrović、Mirjana Eckert-Maksić

  DOI：10.1016/j.tetlet.2005.10.035

  日期：2005.12

  The synthesis of novel N,N',N''-tris(3-dimethylaminopropyl)-guanidine 1 is described and X-ray structure of its hexafluorophosphate salt measured (1H center dot PF6). The hydrogen bonding in protonated 1 and in 1H center dot PF6 is also discussed. (c) 2005 Published by Elsevier Ltd.