5-ethyloxymethyl-2,2,7,8-tetramethyl-chroman-6-ol | 14053-20-4

• 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-ethyloxymethyl-2,2,7,8-tetramethyl-chroman-6-ol
• 英文别名: 5-ethoxymethyl-2,2,7,8-tetramethyl-chroman-6-ol；5-Ethoxymethyl-2,2,7,8-tetramethyl-6-chromanol；5-(ethoxymethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol
• CAS: 14053-20-4
• 化学式: C₁₆H₂₄O₃
• 分子量: 264.365
• InChiKey: RLBNOTXFGLGIIK-UHFFFAOYSA-N

物化性质

• 沸点：
  369.9±42.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙醇 、 5-(Chloromethyl)-2,2,7,8-tetramethyl-3,4-dihydrochromen-6-ol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以99%的产率得到5-ethyloxymethyl-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

文献信息

• Oxidations of vitamin E (.alpha.-tocopherol) and its model compound. 2,2,5,7,8-Pentamethyl-6-hydroxychroman. A new dimer
  作者：Cacang Suarna、Donald C. Craig、Keith J. Cross、Peter T. Southwell-Keely

  DOI：10.1021/jo00241a029

  日期：1988.3
• Transformations of chromanol and tocopherol and synthesis of ascorbate conjugates
  作者：Martina Lahmann、Joachim Thiem

  DOI：10.1016/j.tet.2010.12.066

  日期：2011.3

  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.