tert-butyl (6-(2-formyl-3,5-dihydroxy-4-methylphenyl)hex-5-yn-1-yl)carbamate | 1361317-39-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl (6-(2-formyl-3,5-dihydroxy-4-methylphenyl)hex-5-yn-1-yl)carbamate
• CAS: 1361317-39-6
• 化学式: C₁₉H₂₅NO₅
• 分子量: 347.411
• InChiKey: HDQGYIQWBZXKMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  95.86
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (6-(2-formyl-3,5-dihydroxy-4-methylphenyl)hex-5-yn-1-yl)carbamate 在 Au(OAc)3 、 四丁基氟化铵 、 2-碘酰基苯甲酸 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 tert-butyl N-[4-(7-hydroxy-7-methyl-6,8-dioxoisochromen-3-yl)butyl]carbamate
  参考文献：
  名称：

  Synthesis of Azaphilone-Based Chemical Libraries

  摘要：

  The synthesis of azaphilone scaffolds that have been further diversified by cross coupling acylation and amine addition is reported. Methodology development also led to novel modifications including CS acetoxylation and condensations producing isoquinolin-6(7H) structures. Overall, the library synthesis afforded three azaphilone sublibraries, including vinylogous pyridones which project diversity elements in four sectors of the azaphilone core.

  DOI：

  10.1021/co300002x
• 作为产物：
  描述：

  2-甲基-2-丙基5-己炔-1-基氨基甲酸酯 、 6-bromo-2,4-dihydroxy-3-methylbenzaldehyde 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以86%的产率得到tert-butyl (6-(2-formyl-3,5-dihydroxy-4-methylphenyl)hex-5-yn-1-yl)carbamate
  参考文献：
  名称：

  Synthesis of Azaphilone-Based Chemical Libraries

  摘要：

  The synthesis of azaphilone scaffolds that have been further diversified by cross coupling acylation and amine addition is reported. Methodology development also led to novel modifications including CS acetoxylation and condensations producing isoquinolin-6(7H) structures. Overall, the library synthesis afforded three azaphilone sublibraries, including vinylogous pyridones which project diversity elements in four sectors of the azaphilone core.

  DOI：

  10.1021/co300002x