9,9'-(4,4'-(1,3-phenylenebis(methylene))bis(oxy)bis(3,5-dimethoxy-4,1-phenylene))bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 9,9'-(4,4'-(1,3-phenylenebis(methylene))bis(oxy)bis(3,5-dimethoxy-4,1-phenylene))bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione)
• 英文别名: 9-[4-methoxy-3-[[3-[[2-methoxy-5-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
• 化学式: C₅₆H₆₂O₁₀
• 分子量: 895.102
• InChiKey: WXDQWNBAMAWNNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  66
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲醛 在 三氟化硼乙醚 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.5h， 生成 9,9'-(4,4'-(1,3-phenylenebis(methylene))bis(oxy)bis(3,5-dimethoxy-4,1-phenylene))bis(3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione)
  参考文献：
  名称：

  Synthesis and antioxidant studies of novel bi-, tri-, and tetrapodal 9-aryl-1,8-dioxo-octahydroxanthenes

  摘要：

  Compounds bearing two, three, and four 9-aryl-1,8-dioxo-octahydroxanthenes units were synthesized by regioselective O-alkylation of monopodal xanthenes with bis-, tris-, and tetralds(bromomethyl)benzenes as alkylating agents using K2CO3 as base and DMF as solvent in moderate temperature. All the synthesized compounds were characterized by NMR and mass spectral data and then tested for antioxidant activity, as reflected by free radical scavenging, increased with increasing number of xanthene units. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.01.162

文献信息

• Synthesis and antioxidant studies of novel bi-, tri-, and tetrapodal 9-aryl-1,8-dioxo-octahydroxanthenes
  作者：P. Iniyavan、S. Sarveswari、V. Vijayakumar

  DOI：10.1016/j.tetlet.2015.01.162

  日期：2015.3

  Compounds bearing two, three, and four 9-aryl-1,8-dioxo-octahydroxanthenes units were synthesized by regioselective O-alkylation of monopodal xanthenes with bis-, tris-, and tetralds(bromomethyl)benzenes as alkylating agents using K2CO3 as base and DMF as solvent in moderate temperature. All the synthesized compounds were characterized by NMR and mass spectral data and then tested for antioxidant activity, as reflected by free radical scavenging, increased with increasing number of xanthene units. (C) 2015 Elsevier Ltd. All rights reserved.