Acetic acid 1'-acetoxy-4,4'-bis-(2,4-bis-benzyloxy-phenyl)-8,8'-dimethoxy-[2,2']binaphthalenyl-1-yl ester | 198494-17-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Acetic acid 1'-acetoxy-4,4'-bis-(2,4-bis-benzyloxy-phenyl)-8,8'-dimethoxy-[2,2']binaphthalenyl-1-yl ester
• CAS: 198494-17-6
• 化学式: C₆₆H₅₄O₁₀
• 分子量: 1007.15
• InChiKey: XMLSPSJLVCSZTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.18
• 重原子数：
  76.0
• 可旋转键数：
  19.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 1'-acetoxy-4,4'-bis-(2,4-bis-benzyloxy-phenyl)-8,8'-dimethoxy-[2,2']binaphthalenyl-1-yl ester 在 palladium on activated charcoal 氢气 作用下， 生成 Acetic acid 1'-acetoxy-4,4'-bis-(2,4-dihydroxy-phenyl)-8,8'-dimethoxy-[2,2']binaphthalenyl-1-yl ester
  参考文献：
  名称：

  Structural analogues of the michellamine anti-HIV agents. Importance of the tetrahydroisoquinoline rings for biological activity

  摘要：

  A series of michellamine structural analogues was prepared in which the tetrahydroisoquinoline rings were substituted with a variety of simple aromatic ring systems. Additionally, the methyl groups on the central bis-naphthalene cores were replaced with hydrogen and methoxy. All the analogues were devoid of anti-HIV activity, suggesting that the heterocyclic portion of the tetrahydroisoquinoline ring is crucial for biological activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10057-9
• 作为产物：
  描述：

  5,5'-dimethoxy-3,3'-bi-1,4-naphthoquinone 在 4-二甲氨基吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 barium dihydroxide 、 sodium acetate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 锌 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Acetic acid 1'-acetoxy-4,4'-bis-(2,4-bis-benzyloxy-phenyl)-8,8'-dimethoxy-[2,2']binaphthalenyl-1-yl ester
  参考文献：
  名称：

  Structural analogues of the michellamine anti-HIV agents. Importance of the tetrahydroisoquinoline rings for biological activity

  摘要：

  A series of michellamine structural analogues was prepared in which the tetrahydroisoquinoline rings were substituted with a variety of simple aromatic ring systems. Additionally, the methyl groups on the central bis-naphthalene cores were replaced with hydrogen and methoxy. All the analogues were devoid of anti-HIV activity, suggesting that the heterocyclic portion of the tetrahydroisoquinoline ring is crucial for biological activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10057-9