5-[1-(3-benzylaminopropylamino)ethylidene]-1,3-dimethylhexahydro-2,4,6-pyrimidinetrione | 571178-26-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-[1-(3-benzylaminopropylamino)ethylidene]-1,3-dimethylhexahydro-2,4,6-pyrimidinetrione
• 英文别名: 5-[1-[3-(benzylamino)propylamino]ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 571178-26-2
• 化学式: C₁₈H₂₄N₄O₃
• 分子量: 344.414
• InChiKey: RKXIWWUOXLXPMC-UHFFFAOYSA-N

物化性质

• 沸点：
  468.9±55.0 °C(Predicted)
• 密度：
  1.196±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.08
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  81.75
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(4-溴丁基)邻苯二甲酰亚胺 、 5-[1-(3-benzylaminopropylamino)ethylidene]-1,3-dimethylhexahydro-2,4,6-pyrimidinetrione 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以76%的产率得到5-[1-[3-[benzyl-[4-(1,3-dioxoisoindol-2-yl)butyl]amino]propylamino]ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
  参考文献：
  名称：

  Reaction of 1,3-dimethyl-5-acetyl-barbituric acid (DAB) with primary amines. Access to intermediates for selectively protected spermidines

  摘要：

  dThe ability of 1, 3 -dimethyl-5-acetyl-barbituric acid (DAB) to react with primary amines in a chemoselective fashion was applied to the synthesis of a selectively protected spermidine. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00709-3
• 作为产物：
  描述：

  5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione 在 溶剂黄146 、 sodium nitrite 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 5-[1-(3-benzylaminopropylamino)ethylidene]-1,3-dimethylhexahydro-2,4,6-pyrimidinetrione
  参考文献：
  名称：

  Reaction of 1,3-dimethyl-5-acetyl-barbituric acid (DAB) with primary amines. Access to intermediates for selectively protected spermidines

  摘要：

  dThe ability of 1, 3 -dimethyl-5-acetyl-barbituric acid (DAB) to react with primary amines in a chemoselective fashion was applied to the synthesis of a selectively protected spermidine. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00709-3

文献信息

• Reaction of 1,3-dimethyl-5-acetyl-barbituric acid (DAB) with primary amines. Access to intermediates for selectively protected spermidines
  作者：Emerson T da Silva、Edson L.S Lima

  DOI：10.1016/s0040-4039(03)00709-3

  日期：2003.4

  dThe ability of 1, 3 -dimethyl-5-acetyl-barbituric acid (DAB) to react with primary amines in a chemoselective fashion was applied to the synthesis of a selectively protected spermidine. (C) 2003 Elsevier Science Ltd. All rights reserved.