4-[4-[(E)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]phenoxy]-6-[(E)-2-(2-bromo-5-phenylmethoxyphenyl)ethenyl]-2,2-diphenyl-1,3-benzodioxole | 331248-82-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[4-[(E)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]phenoxy]-6-[(E)-2-(2-bromo-5-phenylmethoxyphenyl)ethenyl]-2,2-diphenyl-1,3-benzodioxole
• CAS: 331248-82-9
• 化学式: C₅₆H₄₂Br₂O₆
• 分子量: 970.754
• InChiKey: GUACXGGOTMPUAG-GEECTANVSA-N

物化性质

• 密度：
  1.406±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  64
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[4-[(E)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]phenoxy]-6-[(E)-2-(2-bromo-5-phenylmethoxyphenyl)ethenyl]-2,2-diphenyl-1,3-benzodioxole 在 platinum(IV) oxide 氢气 、 sodium hydride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 1-Bromo-2-[2-[4-[5-[2-[2-bromo-5-(methoxymethoxy)phenyl]ethyl]-2,3-bis(methoxymethoxy)phenoxy]phenyl]ethyl]-4-methoxy-5-(methoxymethoxy)benzene
  参考文献：
  名称：

  Total Syntheses of Plagiochins A and D, Macrocyclic Bis(bibenzyls), by Pd(0) Catalyzed Intramolecular Stille-Kelly Reaction1

  摘要：

  Total syntheses of plagiochins A (1) and D (4), the former of which exhibits a significant neurotrophic activity, have been accomplished. The key 16-membered ring closure in 4 has been achieved directly from the dibromoperrottetin derivative (7) by Pd(0) catalyzed intramolecular Stille-Kelly reaction, whereas 1 has been synthesized from the dibromide (28) via the trimethylstannyl compounds (29) and (30) by Pd(0) catalyzed intramolecular Stille reaction.

  DOI：

  10.3987/com-00-s(i)26
• 作为产物：
  描述：

  3-苄氧基苯甲醛 在 溴 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 23.0h， 生成 4-[4-[(E)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]phenoxy]-6-[(E)-2-(2-bromo-5-phenylmethoxyphenyl)ethenyl]-2,2-diphenyl-1,3-benzodioxole
  参考文献：
  名称：

  Total Syntheses of Plagiochins A and D, Macrocyclic Bis(bibenzyls), by Pd(0) Catalyzed Intramolecular Stille-Kelly Reaction1

  摘要：

  Total syntheses of plagiochins A (1) and D (4), the former of which exhibits a significant neurotrophic activity, have been accomplished. The key 16-membered ring closure in 4 has been achieved directly from the dibromoperrottetin derivative (7) by Pd(0) catalyzed intramolecular Stille-Kelly reaction, whereas 1 has been synthesized from the dibromide (28) via the trimethylstannyl compounds (29) and (30) by Pd(0) catalyzed intramolecular Stille reaction.

  DOI：

  10.3987/com-00-s(i)26