[(E)-2-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-vinyl]-phosphonic acid diethyl ester

• 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: [(E)-2-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-vinyl]-phosphonic acid diethyl ester
• 英文别名: 1-(2-Diethoxyphosphorylethenyl)-5-methylpyrimidine-2,4-dione
• 化学式: C₁₁H₁₇N₂O₅P
• 分子量: 288.24
• InChiKey: UXLGYEMCEQNJGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diethyl ethynylphosphonate 、 胸腺嘧啶 在 potassium carbonate 作用下， 生成 [(E)-2-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-vinyl]-phosphonic acid diethyl ester
  参考文献：
  名称：

  Synthesis of Acycloalkenyl Derivatives of Pyrimidines and Purines

  摘要：

  Conjugate addition of an anionic nucleophile (nucleobase) to an active triple bond (alpha, beta unsaturated carboxylate or phosphonate) was used for preparing alpha-ethenyl carboxylate or phosphonate derivatives of purines and pyrimidines.

  DOI：

  10.1080/15257779508012380

文献信息

• Synthesis of Acycloalkenyl Derivatives of Pyrimidines and Purines
  作者：H. B. Lazrek、N. Redwane、A. Rochdi、J. L. Barascut、J. -L. Imbach、E. De Clercq

  DOI：10.1080/15257779508012380

  日期：1995.5.1

  Conjugate addition of an anionic nucleophile (nucleobase) to an active triple bond (alpha, beta unsaturated carboxylate or phosphonate) was used for preparing alpha-ethenyl carboxylate or phosphonate derivatives of purines and pyrimidines.