3-hydroxy-3-methyl-4-oxo-4-phenylbutyl-2-(6-(2,2-diphenylcyclopropyl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate | 936355-54-3

• 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: 3-hydroxy-3-methyl-4-oxo-4-phenylbutyl-2-(6-(2,2-diphenylcyclopropyl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
• CAS: 936355-54-3
• 化学式: C₃₃H₃₂N₂O₆
• 分子量: 552.627
• InChiKey: ZQQCVUJFZQMQEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  107.6
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3-methyl-4-oxo-4-phenylbutyl-2-(6-(2,2-diphenylcyclopropyl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate 以 水 、 乙腈 为溶剂， 生成
  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 4-二甲氨基吡啶 、 sodium hydroxide 、 potassium carbonate 、 氯乙酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 乙醇 、 水 、 二甲基亚砜 、 丙酮 为溶剂， 反应 48.0h， 生成 3-hydroxy-3-methyl-4-oxo-4-phenylbutyl-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