4-[5-(2-Amino-6-phenylpyrimidin-4-yl)oxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]oxy-6-phenylpyrimidin-2-amine | 1380538-23-7

• 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: 4-[5-(2-Amino-6-phenylpyrimidin-4-yl)oxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]oxy-6-phenylpyrimidin-2-amine
• CAS: 1380538-23-7
• 化学式: C₂₈H₂₆N₆O₂
• 分子量: 478.553
• InChiKey: OCOGTDRCHYIJGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (5-Acetyloxy-3,3-dimethylcyclohexa-1,4-dien-1-yl) acetate 在 sodium acetate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 1.33h， 生成 4-[5-(2-Amino-6-phenylpyrimidin-4-yl)oxy-3,3-dimethylcyclohexa-1,4-dien-1-yl]oxy-6-phenylpyrimidin-2-amine
  参考文献：
  名称：

  Ultrasound Irradiated Synthesis of Bis-pyrimidine Derivative in Aqueous MediA

  摘要：

  Pyrimidine derivatives have been found to possess a broad spectrum of biological activities. Among various pyrimidine derivatives, bis-pyrimidine seems to be the rarely studied. A variety of methods have been reported for the preparation of this class of compound. However, in spite of their potential utility, some of the reported methods suffer from drawbacks such as long reaction times, cumbersome product-isolation procedures, and environmental concerns. Organic reactions in aqueous media have attracted increasing interest recently because of environmental issues and the understanding of biochemical processes. Ultrasound has increasingly been used in organic synthesis for greater yields, shorter reaction times or milder conditions.

  DOI：

  10.1080/00397911.2011.558970

文献信息

• Ultrasound Irradiated Synthesis of Bis-pyrimidine Derivative in Aqueous MediA
  作者：Vijay V. Dabholkar、Faisal Y. Ansari

  DOI：10.1080/00397911.2011.558970

  日期：2012.8.15

  Pyrimidine derivatives have been found to possess a broad spectrum of biological activities. Among various pyrimidine derivatives, bis-pyrimidine seems to be the rarely studied. A variety of methods have been reported for the preparation of this class of compound. However, in spite of their potential utility, some of the reported methods suffer from drawbacks such as long reaction times, cumbersome product-isolation procedures, and environmental concerns. Organic reactions in aqueous media have attracted increasing interest recently because of environmental issues and the understanding of biochemical processes. Ultrasound has increasingly been used in organic synthesis for greater yields, shorter reaction times or milder conditions.