N,N'-bis(tert-butyloxycarbonyl)-N''-dodecyl guanidine

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N'-bis(tert-butyloxycarbonyl)-N''-dodecyl guanidine
• 英文别名: tert-butyl N-[N'-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
• 化学式: C₂₃H₄₅N₃O₄
• 分子量: 427.628
• InChiKey: ASZPEGJMBIJWKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  十二烷基伯胺 、 N,N′,N′′-三叔丁氧羰基胍 以 四氢呋喃 为溶剂， 以97%的产率得到N,N'-bis(tert-butyloxycarbonyl)-N''-dodecyl guanidine
  参考文献：
  名称：

  N,N′,N″-Tri-Boc-guanidine (TBG): a common starting material for both N-alkyl guanidines and amidinoureas

  摘要：

  In this Letter, we describe the unexpected reaction pattern of N,N',N"-tri-Boc-guanidine (TBG) with amines at room temperature and under reflux conditions affording N-substituted guanidines and amidinoureas, potentially important compounds with extensive applications in medicinal chemistry. This investigation shows that TBG is an excellent, readily available common starting material for the synthesis of various N-alkyl guanidines as well as N-alkyl-N'-substituted amidinoureas by simply manipulating the reaction conditions. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.01.055

文献信息

• N,N′,N″-Tri-Boc-guanidine (TBG): a common starting material for both N-alkyl guanidines and amidinoureas
  作者：Panchami Prabhakaran、Gangadhar J. Sanjayan

  DOI：10.1016/j.tetlet.2007.01.055

  日期：2007.3

  In this Letter, we describe the unexpected reaction pattern of N,N',N"-tri-Boc-guanidine (TBG) with amines at room temperature and under reflux conditions affording N-substituted guanidines and amidinoureas, potentially important compounds with extensive applications in medicinal chemistry. This investigation shows that TBG is an excellent, readily available common starting material for the synthesis of various N-alkyl guanidines as well as N-alkyl-N'-substituted amidinoureas by simply manipulating the reaction conditions. (c) 2007 Elsevier Ltd. All rights reserved.