diethylamido-O-(2-[2-hydroxy-3,5-di-tert-butylbenzyl]-4,6-di-tert-butyl-phenyl)-O-tocopherylphosphite | 562828-35-7

• 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: diethylamido-O-(2-[2-hydroxy-3,5-di-tert-butylbenzyl]-4,6-di-tert-butyl-phenyl)-O-tocopherylphosphite
• CAS: 562828-35-7
• 化学式: C₆₂H₁₀₂NO₄P
• 分子量: 956.47
• InChiKey: MQDFFRGGRBGVLQ-YCKDSFSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.65
• 重原子数：
  68.0
• 可旋转键数：
  21.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  51.16
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  diethylamido-O-(2-[2-hydroxy-3,5-di-tert-butylbenzyl]-4,6-di-tert-butyl-phenyl)-O-tocopherylphosphite 以 xylene 为溶剂， 反应 8.0h， 以72%的产率得到2-diethylamido-4,5;7,8-dibenzo-9,9',11,11'-tetra-tert-butyl-1,3,2-dioxaphosphocine
  参考文献：
  名称：

  Cyclophosphorylation of polyphenols by diamidoarylphosphites

  摘要：

  It was found that the cyclophosphorylation of polyphenols by diamidoarylphosphites proceeds via the rupture of only one P-N bond and one P-O bond, the second P-N bond remaining intact, It is supposed that the unusual lack of reactivity of the P-N bond is due to the spatial arrangement of the amido group with respect to the reaction site in phosphorylated intermediates 5. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(03)00111-x
• 作为产物：
  描述：

  天然维生素E 以 甲苯 为溶剂， 反应 29.0h， 生成 diethylamido-O-(2-[2-hydroxy-3,5-di-tert-butylbenzyl]-4,6-di-tert-butyl-phenyl)-O-tocopherylphosphite
  参考文献：
  名称：

  Cyclophosphorylation of polyphenols by diamidoarylphosphites

  摘要：

  It was found that the cyclophosphorylation of polyphenols by diamidoarylphosphites proceeds via the rupture of only one P-N bond and one P-O bond, the second P-N bond remaining intact, It is supposed that the unusual lack of reactivity of the P-N bond is due to the spatial arrangement of the amido group with respect to the reaction site in phosphorylated intermediates 5. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(03)00111-x