(2R)-2,8-dimethyl-5-(octyltellanyl)-6-((tetrahydro-2H-pyran-2-yl)oxy)-2-((4R,8R)-4,8,12-trimethyltridecyl)chromane | 1497409-25-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (2R)-2,8-dimethyl-5-(octyltellanyl)-6-((tetrahydro-2H-pyran-2-yl)oxy)-2-((4R,8R)-4,8,12-trimethyltridecyl)chromane
• CAS: 1497409-25-2
• 化学式: C₄₀H₇₀O₃Te
• 分子量: 726.594
• InChiKey: XACKSBGVSWRBOL-XWCYEVECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.53
• 重原子数：
  44.0
• 可旋转键数：
  22.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (2R)-2,8-dimethyl-5-(octyltellanyl)-6-((tetrahydro-2H-pyran-2-yl)oxy)-2-((4R,8R)-4,8,12-trimethyltridecyl)chromane 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以64%的产率得到5-(n-octyltelluro)-δ-tocopherol
  参考文献：
  名称：

  Catalytic Antioxidants: Regenerable Tellurium Analogues of Vitamin E

  摘要：

  In an effort to improve the chain-breaking capacity of the natural antioxidants, an octyltelluro group was introduced next to the phenolic moiety in beta- and delta-tocopherol. The new vitamin E analogues quenched peroxyl radicals more efficiently than alpha-tocopherol and were readily regenerable by aqueous N-acetylcysteine in a simple membrane model composed of a stirring chlorobenzene/water two-phase system. The novel tocopherol analogues could also mimic the action of the glutathione peroxidase enzymes.

  DOI：

  10.1021/ol403131t
• 作为产物：
  描述：

  5-bromo-δ-tocopherol 在 盐酸 、 叔丁基锂 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 49.5h， 生成 (2R)-2,8-dimethyl-5-(octyltellanyl)-6-((tetrahydro-2H-pyran-2-yl)oxy)-2-((4R,8R)-4,8,12-trimethyltridecyl)chromane
  参考文献：
  名称：

  Catalytic Antioxidants: Regenerable Tellurium Analogues of Vitamin E

  摘要：

  In an effort to improve the chain-breaking capacity of the natural antioxidants, an octyltelluro group was introduced next to the phenolic moiety in beta- and delta-tocopherol. The new vitamin E analogues quenched peroxyl radicals more efficiently than alpha-tocopherol and were readily regenerable by aqueous N-acetylcysteine in a simple membrane model composed of a stirring chlorobenzene/water two-phase system. The novel tocopherol analogues could also mimic the action of the glutathione peroxidase enzymes.

  DOI：

  10.1021/ol403131t