6-(2,2-diphenylcyclopropyl)pyrimidine-2,4(1H,3H)-dione | 936355-40-7

• 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-(2,2-diphenylcyclopropyl)pyrimidine-2,4(1H,3H)-dione
• CAS: 936355-40-7
• 化学式: C₁₉H₁₆N₂O₂
• 分子量: 304.348
• InChiKey: ROQRSKVFQRQVRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  65.72
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-(2,2-diphenylcyclopropyl)pyrimidine-2,4(1H,3H)-dione 在 potassium carbonate 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 反应 24.0h， 生成 ethyl 2-(6-(2,2-diphenylcyclopropyl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
  参考文献：
  名称：

  Compatible Injection and Detection Systems for Studying the Kinetics of Excess Electron Transfer

  摘要：

  [GRAPHICS]A design for fast kinetic studies of electron transfer in radical anions is reported. alpha-Hydroxy radicals formed by 355 nm laser flash photolysis of alpha-phenacyl alcohols are deprotonated under basic conditions to give ketyl radical anions that serve as electron injectors in inter- and intramolecular electron-transfer reactions. The 2,2-diphenylcyclopropyl group serves as a reporter. When an electron is injected and transferred such that spin character is adjacent to the reporter, cyclopropyl ring opening gives a readily detected diphenylalkyl radical.

  DOI：

  10.1021/ol070593j
• 作为产物：
  描述：

  6-(2,2-diphenylcyclopropyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 在 氯乙酸 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以2.3 g的产率得到6-(2,2-diphenylcyclopropyl)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Compatible Injection and Detection Systems for Studying the Kinetics of Excess Electron Transfer

  摘要：

  [GRAPHICS]A design for fast kinetic studies of electron transfer in radical anions is reported. alpha-Hydroxy radicals formed by 355 nm laser flash photolysis of alpha-phenacyl alcohols are deprotonated under basic conditions to give ketyl radical anions that serve as electron injectors in inter- and intramolecular electron-transfer reactions. The 2,2-diphenylcyclopropyl group serves as a reporter. When an electron is injected and transferred such that spin character is adjacent to the reporter, cyclopropyl ring opening gives a readily detected diphenylalkyl radical.

  DOI：

  10.1021/ol070593j