5-benzyl-6-phenylpyrimidine-2,4(1H,3H)-dione | 13345-10-3

• 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-benzyl-6-phenylpyrimidine-2,4(1H,3H)-dione
• 英文别名: 5-benzyl-6-phenyl-1H-pyrimidine-2,4-dione；5-Benzyl-6-phenyl-uracil；6-Phenyl-5-(phenylmethyl)-2,4(1H,3H)-pyrimidinedione；5-benzyl-6-phenyl-1H-pyrimidine-2,4-dione
• CAS: 13345-10-3
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: XYXNIRIYVCLWFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 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-苄基-3-氧代-3-苯基丙酸乙酯 在 三氟化硼乙醚 作用下， 反应 0.15h， 以55%的产率得到5-benzyl-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

• 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.