N1,N3-di(2-pyrimidinyl)-N1-(2-{2-pyrimidinyl-[3-(2-pyrimidinylamino)propyl]amino}ethyl)-1,3-propanediamine | 1129431-47-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N1,N3-di(2-pyrimidinyl)-N1-(2-{2-pyrimidinyl-[3-(2-pyrimidinylamino)propyl]amino}ethyl)-1,3-propanediamine
• 英文别名: N,N'-di(pyrimidin-2-yl)-N'-[2-[pyrimidin-2-yl-[3-(pyrimidin-2-ylamino)propyl]amino]ethyl]propane-1,3-diamine
• CAS: 1129431-47-5
• 化学式: C₂₄H₃₀N₁₂
• 分子量: 486.583
• InChiKey: YNGYMDCRQAPSEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-氯嘧啶 、 N,N-二(3-氨丙基)乙基乙胺 在 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以29%的产率得到N1-(2-pyrimidinyl)-N3-2-{[3-(2-pyrimidinylamino)propyl]amino}ethyl-1,3-propanediamine
  参考文献：
  名称：

  Amination of 2-chloro-and 2,4-dichloropyrimidines by polyamines

  摘要：

  A study was carried out on the amination of 2-chloro-and 2,4-dichloropyrimidines by linear polyamines and oxadiamines under catalytic and noncatalytic conditions. The reaction of excess polyamine with 2-chloropyrimidine gives the corresponding 2-aminopyrimidines, while the reaction of polyamines with excess of 2-chloropyrimidine gives di-, tri-, and tetraarylated derivatives. The reaction of 2,4-dichloropyrimidine with diamines was studied with different ratios of the starting reagents. The ratios of the products of substitution at pyrimidine C-2 and C-4 were found.

  DOI：

  10.1007/s10593-008-0165-7

文献信息

• Amination of 2-chloro-and 2,4-dichloropyrimidines by polyamines
  作者：A. D. Averin、O. A. Ulanovskaya、I. P. Beletskaya

  DOI：10.1007/s10593-008-0165-7

  日期：2008.9

  A study was carried out on the amination of 2-chloro-and 2,4-dichloropyrimidines by linear polyamines and oxadiamines under catalytic and noncatalytic conditions. The reaction of excess polyamine with 2-chloropyrimidine gives the corresponding 2-aminopyrimidines, while the reaction of polyamines with excess of 2-chloropyrimidine gives di-, tri-, and tetraarylated derivatives. The reaction of 2,4-dichloropyrimidine with diamines was studied with different ratios of the starting reagents. The ratios of the products of substitution at pyrimidine C-2 and C-4 were found.