3,3'-(9,9'-(1,3-phenylene)bis(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridine-10,9(9H)-diyl))dibenzoic acid | 1221445-65-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3,3'-(9,9'-(1,3-phenylene)bis(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridine-10,9(9H)-diyl))dibenzoic acid
• 英文别名: 3-[9-[3-[10-(3-carboxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]benzoic acid
• CAS: 1221445-65-3
• 化学式: C₅₄H₅₆N₂O₈
• 分子量: 861.047
• InChiKey: MAQOEJHIYAFEMC-UHFFFAOYSA-N

物化性质

• 熔点：
  256 °C (decomp)(Solvent: Ethyl acetate; Methanol)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  64
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  间苯二甲醛 、 5,5-二甲基-1,3-环己二酮 、 间氨基苯甲酸 在 Amberlyst-15 catalyst 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以75%的产率得到3,3'-(9,9'-(1,3-phenylene)bis(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridine-10,9(9H)-diyl))dibenzoic acid
  参考文献：
  名称：

  Synthesis and antimicrobial activities of novel bisacridine-1,8-dione derivatives

  摘要：

  A series of bisacridine-1,8-dione derivatives were synthesized by one-pot reaction of aromatic dialdehydes, dimedone or cyclohexane-1,3-dione and primer aromatic amines in acetonitrile to utilizing Amberlyst-15 as a heterogeneous catalyst. The structures of compounds were characterized by FT-IR, NMR, and elemental analysis. Antimicrobial activities of these compounds were determined by using the disc diffusion method against to these gram-positive and gram-negative bacteria and yeast. The results were compared with reference discs.

  DOI：

  10.1007/s00044-010-9321-6

文献信息

• Synthesis and antimicrobial activities of novel bisacridine-1,8-dione derivatives
  作者：Muharrem Kaya、Yılmaz Yıldırır、Gökçen Y. Çelik

  DOI：10.1007/s00044-010-9321-6

  日期：2011.4

  A series of bisacridine-1,8-dione derivatives were synthesized by one-pot reaction of aromatic dialdehydes, dimedone or cyclohexane-1,3-dione and primer aromatic amines in acetonitrile to utilizing Amberlyst-15 as a heterogeneous catalyst. The structures of compounds were characterized by FT-IR, NMR, and elemental analysis. Antimicrobial activities of these compounds were determined by using the disc diffusion method against to these gram-positive and gram-negative bacteria and yeast. The results were compared with reference discs.