(E)-1-[[4-(5-dimethylphosphonomethyl-2,3-diphenylmethylenedioxy)phenoxy]phenyl]-2-[2-bromo-4-benzyloxy-5-methoxyphenyl]ethene | 331248-79-4

• 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: (E)-1-[[4-(5-dimethylphosphonomethyl-2,3-diphenylmethylenedioxy)phenoxy]phenyl]-2-[2-bromo-4-benzyloxy-5-methoxyphenyl]ethene
• 英文别名: 4-[4-[(E)-2-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)ethenyl]phenoxy]-6-(dimethoxyphosphorylmethyl)-2,2-diphenyl-1,3-benzodioxole
• CAS: 331248-79-4
• 化学式: C₄₄H₃₈BrO₈P
• 分子量: 805.659
• InChiKey: ULVWDXSZDBGLQS-ZBJSNUHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (E)-1-[[4-(5-dimethylphosphonomethyl-2,3-diphenylmethylenedioxy)phenoxy]phenyl]-2-[2-bromo-4-benzyloxy-5-methoxyphenyl]ethene 在 platinum(IV) oxide 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.0h， 生成
  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：

  dimethyl 2-bromo-4-benzyloxy-5-methoxybenzylphosphonate 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 (E)-1-[[4-(5-dimethylphosphonomethyl-2,3-diphenylmethylenedioxy)phenoxy]phenyl]-2-[2-bromo-4-benzyloxy-5-methoxyphenyl]ethene
  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