6-methyl-2,4-pyrimidine-diyl dibenzoate | 155632-06-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-methyl-2,4-pyrimidine-diyl dibenzoate
• 英文别名: 2,4-Dibenzoyloxy-6-methylpyrimidine；(2-benzoyloxy-6-methylpyrimidin-4-yl) benzoate
• CAS: 155632-06-7
• 化学式: C₁₉H₁₄N₂O₄
• 分子量: 334.331
• InChiKey: JRBWYIGTTGNYRO-UHFFFAOYSA-N

物化性质

• 沸点：
  514.0±42.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-methyl-2,4-pyrimidine-diyl dibenzoate 在 4-二甲氨基吡啶 吡啶 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 1,3-dibenzoyl-6-methyluracil
  参考文献：
  名称：

  Researches on antiviral agents. 4. Studies on the chemistry of 6-methyl-2-methoxy-4-O-acyloxy and 6-methyl-2,4-di-O-acyloxypyrimidine derivatives as new acylation reagents and inhibitors of uracil DNA glycosylases.

  摘要：

  The synthesis of 6-methyl-2-methoxy-4-O-acyloxy and 6-methyl-2,4-di-O-acyloxypyrimidine derivatives 2 and 5 along with their properties as acylating agents of amines, alcohols, thiols and alpha-amino acids have been reported. Interestingly some of the tide products revealed an inhibitory activity against the human and herpetic DNA glycosylases.

  DOI：

  10.1016/s0040-4020(01)87037-x
• 作为产物：
  描述：

  6-甲基尿嘧啶 、 苯甲酰氯 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以70%的产率得到6-methyl-2,4-pyrimidine-diyl dibenzoate
  参考文献：
  名称：

  Synthesis of 2,4-dibenzoyloxy-6-methylpyrimidine and its acylotropic transformations

  摘要：

  DOI：

  10.1007/bf02494388

文献信息

• 6-Methyl-2,4-pyrimidyl Diesters. A Highly Efficient Acylating Agent for the Synthesis of Unsymmetrical Ketones
  作者：Jae-In Lee

  DOI：10.5012/bkcs.2010.31.03.749

  日期：2010.3.20
• Botta Maurizio, Saladino Raffaele, Gentile Gabriella, Summa Vincenzo, Nic+, Tetrahedron, 50 (1994) N 11, S 3603-3618
  作者：Botta Maurizio, Saladino Raffaele, Gentile Gabriella, Summa Vincenzo, Nic+

  DOI：——

  日期：——
• Researches on antiviral agents. 4. Studies on the chemistry of 6-methyl-2-methoxy-4-O-acyloxy and 6-methyl-2,4-di-O-acyloxypyrimidine derivatives as new acylation reagents and inhibitors of uracil DNA glycosylases.
  作者：Maurizio Botta、Raffaele Saladino、Gabriella Gentile、Vincenzo Summa、Rosario Nicoletti、Annalisa Verri、Federico Focher、Silvio Spadari

  DOI：10.1016/s0040-4020(01)87037-x

  日期：1994.3

  The synthesis of 6-methyl-2-methoxy-4-O-acyloxy and 6-methyl-2,4-di-O-acyloxypyrimidine derivatives 2 and 5 along with their properties as acylating agents of amines, alcohols, thiols and alpha-amino acids have been reported. Interestingly some of the tide products revealed an inhibitory activity against the human and herpetic DNA glycosylases.
• Synthesis of 2,4-dibenzoyloxy-6-methylpyrimidine and its acylotropic transformations
  作者：G. I. Podzigun、V. V. Petrova、V. S. Reznik、R. R. Schagidullin、L. V. Avvakumova

  DOI：10.1007/bf02494388

  日期：1997.2