4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)benzaldehyde

• 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: 4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)benzaldehyde
• 英文别名: 4-[(5-Methyl-2,4-dioxopyrimidin-1-yl)methyl]benzaldehyde；4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzaldehyde
• 化学式: C₁₃H₁₂N₂O₃
• 分子量: 244.25
• InChiKey: XEKVYFTXFHLHML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(二乙氧基甲基硅基)丙胺 、 4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)benzaldehyde 在 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以71%的产率得到1-(4-{[(E)-3-(diethoxymethylsilanyl)propylimino]methyl}benzyl)-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Thymine-functionalised siloxanes: Model compounds and polymers

  摘要：

  A novel, efficient synthetic method for the production of organosiloxane polymers functionalised with pendant DNA bases, typified by thymine, is reported. A condensation reaction between an alpha-amino-omega-alkylsilane or an amino-functionalised siloxane with aldehyde-functionalised thymine gave polymers in higher overall yields than the methods previously reported. Variation in the loading of thymine led to a range of material properties from a highly viscous fluid at 0.2% functionalization to a hard, brittle solid at 20% loading due to hydrogen bonding interactions. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.12.007
• 作为产物：
  描述：

  4-溴甲基苯甲醛 、 胸腺嘧啶 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 以88%的产率得到4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)benzaldehyde
  参考文献：
  名称：

  Thymine-functionalised siloxanes: Model compounds and polymers

  摘要：

  A novel, efficient synthetic method for the production of organosiloxane polymers functionalised with pendant DNA bases, typified by thymine, is reported. A condensation reaction between an alpha-amino-omega-alkylsilane or an amino-functionalised siloxane with aldehyde-functionalised thymine gave polymers in higher overall yields than the methods previously reported. Variation in the loading of thymine led to a range of material properties from a highly viscous fluid at 0.2% functionalization to a hard, brittle solid at 20% loading due to hydrogen bonding interactions. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.12.007

文献信息

• Thymine-functionalised siloxanes: Model compounds and polymers
  作者：Douglas R.G. Smith、Gabriele Kociok-Köhn、Kieran C. Molloy、Gareth J. Price、Rhys D. Short

  DOI：10.1016/j.jorganchem.2014.12.007

  日期：2015.2

  A novel, efficient synthetic method for the production of organosiloxane polymers functionalised with pendant DNA bases, typified by thymine, is reported. A condensation reaction between an alpha-amino-omega-alkylsilane or an amino-functionalised siloxane with aldehyde-functionalised thymine gave polymers in higher overall yields than the methods previously reported. Variation in the loading of thymine led to a range of material properties from a highly viscous fluid at 0.2% functionalization to a hard, brittle solid at 20% loading due to hydrogen bonding interactions. (C) 2014 Elsevier B.V. All rights reserved.