5-methyl-6-phenylpyrimidine-2,4(1H,3H)-dione | 25796-67-2

• 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-methyl-6-phenylpyrimidine-2,4(1H,3H)-dione
• 英文别名: 5-methyl-6-phenyl-1H-pyrimidine-2,4-dione；6-Phenylthymin；5-methyl-6-phenyl-1H-pyrimidine-2,4-dione
• CAS: 25796-67-2
• 化学式: C₁₁H₁₀N₂O₂
• 分子量: 202.213
• InChiKey: RZDTYDUYAOWRMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  尿素 、 2-甲基-3-氧代-3-苯基丙酸乙酯 在 三氟化硼乙醚 作用下， 反应 0.12h， 以76%的产率得到5-methyl-6-phenylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Synthesis of modified uracil and cytosine nucleobases using a microwave-assisted method

  摘要：

  Modified nucleobases and nucleic acids have found many biological and pharmaceutical applications. Here we report a microwave-directed synthesis of a variety of modified uracil and cytosine nucleobases with high yields under solvent-free conditions. The reaction yields were further improved by addition of Lewis acid. The crystal structures of 5-isopropyl-6-methyluracil and 6-phenyluracil were also determined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.056

文献信息

• 一种甲基酮衍生物及其制备方法与应用
  申请人：苏州大学

  公开号：CN106496130B

  公开（公告）日：2019-09-20

  本发明公开了一种甲基酮衍生物及其制备方法与应用，将酮衍生物、有机过氧化物溶于溶剂中，于80‑130℃反应，获得甲基嘧啶酮和甲基吡啶酮衍生物。本发明使用酮衍生物为起始物，原料易得、种类很多；利用本发明的方法得到的产物类型多样，既可以直接使用、又可以用于其他进一步的反应。本发明方法无金属参与，适合于制药工艺。本发明方法路线简短、反应条件温和、反应操作和后处理过程简单、产率较高，适合于规模化生产。
• Synthesis of modified uracil and cytosine nucleobases using a microwave-assisted method
  作者：Laxmi Narayana Burgula、K. Radhakrishnan、Lal Mohan Kundu

  DOI：10.1016/j.tetlet.2012.03.056

  日期：2012.5

  Modified nucleobases and nucleic acids have found many biological and pharmaceutical applications. Here we report a microwave-directed synthesis of a variety of modified uracil and cytosine nucleobases with high yields under solvent-free conditions. The reaction yields were further improved by addition of Lewis acid. The crystal structures of 5-isopropyl-6-methyluracil and 6-phenyluracil were also determined. (C) 2012 Elsevier Ltd. All rights reserved.