6-O-allyl-5-(2,3-di-O-benzyl-L-ascorbate-6-oxy)-methyl-2,2,7,8-tetramethyl-chroman-6-ol | 1276099-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-O-allyl-5-(2,3-di-O-benzyl-L-ascorbate-6-oxy)-methyl-2,2,7,8-tetramethyl-chroman-6-ol
• 英文别名: (2R)-2-[(1S)-1-hydroxy-2-[(2,2,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-5-yl)methoxy]ethyl]-3,4-bis(phenylmethoxy)-2H-furan-5-one
• CAS: 1276099-42-3
• 化学式: C₃₇H₄₂O₈
• 分子量: 614.736
• InChiKey: WXJSZIGBTGCHQN-BZKUTMRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-O-allyl-5-[1-(1,3-dioxolane-2-yl)-methyloxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 1.83h， 生成 6-O-allyl-5-(2,3-di-O-benzyl-L-ascorbate-6-oxy)-methyl-2,2,7,8-tetramethyl-chroman-6-ol
  参考文献：
  名称：

  Transformations of chromanol and tocopherol and synthesis of ascorbate conjugates

  摘要：

  alpha-Tocopherol and as a model compound pentamethylchromanol could be transferred into simple and more complex 5a-ether derivatives including galactopyranose as well as ascorbic acid conjugates. Following elaboration of a glucopyranoside spacer element this could be used for tethering the vitamin E and the vitamin C components to give novel conjugates for subsequent biostudies concerning their proposed synergism of antioxidant properties in tissues. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.12.066