tri(tert-butyl) (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triyl tricarbonate | 1256550-67-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: tri(tert-butyl) (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triyl tricarbonate
• 英文别名: tert-butyl [(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4-dihydro-2H-chromen-7-yl] carbonate
• CAS: 1256550-67-0
• 化学式: C₃₀H₃₈O₁₂
• 分子量: 590.625
• InChiKey: WQRLYBDEDNPVAC-BJKOFHAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  42
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  156
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  tri(tert-butyl) (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triyl tricarbonate 在 碘苯二乙酸 、 magnesium oxide 作用下， 以 氯仿 为溶剂， 生成 tri-tert-butyl ((2R,3S)-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)chromane-3,5,7-triyl) tricarbonate
  参考文献：
  名称：

  Nucleophilic Deoxyfluorination of Catechols

  摘要：

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.

  DOI：

  10.1021/ol200808q
• 作为产物：
  描述：

  儿茶提取物 在 4-二甲氨基吡啶 、 四丁基氟化铵 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 生成 tri(tert-butyl) (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triyl tricarbonate
  参考文献：
  名称：

  Nucleophilic Deoxyfluorination of Catechols

  摘要：

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.

  DOI：

  10.1021/ol200808q

文献信息

• Nucleophilic Deoxyfluorination of Catechols
  作者：Hiroyuki Nemoto、Tsuyoshi Nishiyama、Shuji Akai

  DOI：10.1021/ol200808q

  日期：2011.5.20

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.