2,4-dihydroxy-2-methyl-1-phenylbutan-1-one | 936355-48-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-dihydroxy-2-methyl-1-phenylbutan-1-one
• CAS: 936355-48-5
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: NGBXXKADNHWZNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.53
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-(5-(2,2-diphenylcyclopropyl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate 、 2,4-dihydroxy-2-methyl-1-phenylbutan-1-one 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以75%的产率得到3-hydroxy-3-methyl-4-oxo-4-phenylbutyl-2-(5-(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：

  4-(tert-butyldimethylsilyloxy)2-hydroxy-2-methyl-1-phenylbutan-1-one 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成 2,4-dihydroxy-2-methyl-1-phenylbutan-1-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