(S,S)-N,N-diethyl-N,N''-bis(1-phenylethyl)guanidine

• 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: (S,S)-N,N-diethyl-N,N''-bis(1-phenylethyl)guanidine
• 英文别名: 1,1-diethyl-2,3-bis[(1S)-1-phenylethyl]guanidine
• 化学式: C₂₁H₂₉N₃
• 分子量: 323.481
• InChiKey: CJCOSWXGJHHQOR-ROUUACIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  racem.-N,N'-bis-(1-phenyl-ethyl)-thiourea 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 39.0h， 生成 (S,S)-N,N-diethyl-N,N''-bis(1-phenylethyl)guanidine
  参考文献：
  名称：

  Enantiomerically pure guanidine-catalysed asymmetric nitroaldol reaction

  摘要：

  Enantiomerically pure guanidines with and without C-2 symmetry have been prepared and used as catalysts in the addition of nitromethane to aldehydes (Henry reaction). The influence of the structure and amount of the guanidine, the solvent and the temperature in the enantioselectivity of the nitroaldol reaction has also been studied.

  DOI：

  10.1016/0957-4166(94)80183-5

文献信息

• Enantiomerically pure guanidine-catalysed asymmetric nitroaldol reaction
  作者：Rafael Chinchilla、Carmen Nájera、Pablo Sánchez-Agulló

  DOI：10.1016/0957-4166(94)80183-5

  日期：1994.7

  Enantiomerically pure guanidines with and without C-2 symmetry have been prepared and used as catalysts in the addition of nitromethane to aldehydes (Henry reaction). The influence of the structure and amount of the guanidine, the solvent and the temperature in the enantioselectivity of the nitroaldol reaction has also been studied.