5-[1-(1,3-dioxolane-2-yl)-methyloxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol | 1276099-28-5

• 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: 5-[1-(1,3-dioxolane-2-yl)-methyloxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol
• CAS: 1276099-28-5
• 化学式: C₁₈H₂₆O₅
• 分子量: 322.401
• InChiKey: NPRUFRMHVGIPFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  57.15
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-[1-(1,3-dioxolane-2-yl)-methyloxy]-methyl-2,2,7,8-tetramethyl-chroman-6-ol 在 sodium hydride 、 对甲苯磺酸 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 25.83h， 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
• 作为产物：
  描述：

  1,3-二氧杂烷-2-甲醇 、 5-(Chloromethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol 在 sodium hydride 作用下， 以 乙醚 为溶剂， 反应 2.5h， 以62%的产率得到5-[1-(1,3-dioxolane-2-yl)-methyloxy]-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