6-(2,2-diphenylcyclopropyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | 936355-39-4

• 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)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
• CAS: 936355-39-4
• 化学式: C₁₉H₁₆N₂OS
• 分子量: 320.415
• InChiKey: FTVLKWXEFRLTPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 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：
  48.65
• 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)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 在 potassium carbonate 、 氯乙酸 作用下， 以 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 48.0h， 生成 ethyl 2-(6-(2,2-diphenylcyclopropyl)-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：

  2,2-Diphenylcyclopropancarbonsaeurechlorid 在 正丁基锂 、 sodium ethanolate 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 1.0h， 生成 6-(2,2-diphenylcyclopropyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  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