2-ethoxybenzo[d][1,3]dioxol-4-yl 5-(benzyloxy)-2-bromo-3-((diethylcarbamoyl)oxy)-4-methoxybenzoate | 956030-96-9

• 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: 2-ethoxybenzo[d][1,3]dioxol-4-yl 5-(benzyloxy)-2-bromo-3-((diethylcarbamoyl)oxy)-4-methoxybenzoate
• CAS: 956030-96-9
• 化学式: C₂₉H₃₀BrNO₉
• 分子量: 616.462
• InChiKey: HYBLIXNARBULCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.19
• 重原子数：
  40.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  101.99
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-ethoxybenzo[d][1,3]dioxol-4-yl 5-(benzyloxy)-2-bromo-3-((diethylcarbamoyl)oxy)-4-methoxybenzoate 在 palladium diacetate 特戊酸钠 、 三苯基膦 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 1.0h， 以8%的产率得到8-benzyloxy-3,4-ethoxymethylenedioxy-10-(diethylcarbamoyloxy)-9-methoxy-6H-dibenzo[b,d]pyran-6-one
  参考文献：
  名称：

  Total synthesis of 3,3′,4-tri-O-methylellagic acid from gallic acid

  摘要：

  Total synthesis of 3,3',4-tri-O-methylellagic acid has been described from commercially available gallic acid. Construction of the crucial unsymmetric Ar-Ar bond has been carried out in various methods such as Heck coupling, Heck coupling followed by oxidation or anionic Fries rearrangement, Suzuki cross-coupling, etc., but all the attempts were unsuccessful. Then, finally it has been achieved by intramolecular Ullmann coupling reaction. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.103
• 作为产物：
  描述：

  邻苯三酚 在 4-二甲氨基吡啶 、 Amberlyst 15E 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 24.0h， 生成 2-ethoxybenzo[d][1,3]dioxol-4-yl 5-(benzyloxy)-2-bromo-3-((diethylcarbamoyl)oxy)-4-methoxybenzoate
  参考文献：
  名称：

  Total synthesis of 3,3′,4-tri-O-methylellagic acid from gallic acid

  摘要：

  Total synthesis of 3,3',4-tri-O-methylellagic acid has been described from commercially available gallic acid. Construction of the crucial unsymmetric Ar-Ar bond has been carried out in various methods such as Heck coupling, Heck coupling followed by oxidation or anionic Fries rearrangement, Suzuki cross-coupling, etc., but all the attempts were unsuccessful. Then, finally it has been achieved by intramolecular Ullmann coupling reaction. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.07.103