5-(1-phenylbut-3-enyl)pyrimidine-2,4,6-triamine | 1151543-80-4

• 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-phenylbut-3-enyl)pyrimidine-2,4,6-triamine
• CAS: 1151543-80-4
• 化学式: C₁₄H₁₇N₅
• 分子量: 255.322
• InChiKey: WMYAFUUEDIYAEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103.84
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  盐酸胍 、 2-(1-phenylbut-3-en-1-yl)malononitrile 在 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 反应 2.0h， 以86%的产率得到5-(1-phenylbut-3-enyl)pyrimidine-2,4,6-triamine
  参考文献：
  名称：

  Conjugate allylation reactions of alkylidene malononitriles mediated by NHC-ligated palladium catalysts

  摘要：

  Conjugate allylation of malononitriles is reported using catalytic N-heterocyclic carbene-ligated palladium complexes. This conjugate allylation reaction yields a variety of monoallylated products. These results contrast the bis-allylation of malononitriles using other palladium-based catalysts. This reaction tolerates a wide variety of functional groups including aryl groups, heteroaromatics, and aliphatic substituents to provide the desired products in good to excellent yields. Derivativation of the monoallylation products to form a triamino pyrimidine is demonstrated. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.061