Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-d3 | 842129-88-8

• 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: Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-d3
• 英文别名: (2R)-6-hydroxy-2,8-dimethyl-7-(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene-5-carboxylic acid
• CAS: 842129-88-8
• 化学式: C₂₉H₄₈O₄
• 分子量: 463.674
• InChiKey: SHMOVXNTBAZRNU-SFBGNULSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-d3 反应 3.0h， 生成 (A+/-)-gamma-Tocopherol-d3
  参考文献：
  名称：

  Easy route to labeled and unlabeled R,R,R-γ-tocopherol by aryl demethylation of α-homologues

  摘要：

  The interest in vitamin E research is increasingly focusing on the peculiar properties of the less investigated tocopherols and their metabolites, such as gamma-tocopherol, which have been revealed as very important for human health. Metabolic studies of gamma-tocopherol have been constricted by its high cost and the poor availability of stable isotope-labeled forms. An efficient, inexpensive and simple route is described for the preparation of labeled and unlabeled R,R,R-gamma-tocopherol, starting from R,R,R-a-tocopherol, through simple thermal decarboxylation of gamma-tocopherol-5-carboxylic acid. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.11.047
• 作为产物：
  描述：

  (+)-δ-生育酚 在 氢氧化钾 、 sodium chlorite 、 diclazuril 、 硫酸 、 氨基磺酸 、 溴 、 重水 、 溶剂黄146 、 N-甲基吗啉氧化物 、 tin(ll) chloride 作用下， 以 1,4-二氧六环 、 甲醇 、 正己烷 、 二氯甲烷 、 异丙醚 、 水 、 乙腈 为溶剂， 反应 14.83h， 生成 Delta-Tocopherol-5-formyl-chroman-5-carboxylic acid-d3
  参考文献：
  名称：

  Easy route to labeled and unlabeled R,R,R-γ-tocopherol by aryl demethylation of α-homologues

  摘要：

  The interest in vitamin E research is increasingly focusing on the peculiar properties of the less investigated tocopherols and their metabolites, such as gamma-tocopherol, which have been revealed as very important for human health. Metabolic studies of gamma-tocopherol have been constricted by its high cost and the poor availability of stable isotope-labeled forms. An efficient, inexpensive and simple route is described for the preparation of labeled and unlabeled R,R,R-gamma-tocopherol, starting from R,R,R-a-tocopherol, through simple thermal decarboxylation of gamma-tocopherol-5-carboxylic acid. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.11.047

文献信息

• Easy route to labeled and unlabeled R,R,R-γ-tocopherol by aryl demethylation of α-homologues
  作者：Francesco Mazzini、Thomas Netscher、Piero Salvadori

  DOI：10.1016/j.tet.2004.11.047

  日期：2005.1

  The interest in vitamin E research is increasingly focusing on the peculiar properties of the less investigated tocopherols and their metabolites, such as gamma-tocopherol, which have been revealed as very important for human health. Metabolic studies of gamma-tocopherol have been constricted by its high cost and the poor availability of stable isotope-labeled forms. An efficient, inexpensive and simple route is described for the preparation of labeled and unlabeled R,R,R-gamma-tocopherol, starting from R,R,R-a-tocopherol, through simple thermal decarboxylation of gamma-tocopherol-5-carboxylic acid. (C) 2004 Elsevier Ltd. All rights reserved.