2-ethyl-5,8-dimethyl-2H-chromen-7-ol | 1609940-30-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 2-ethyl-5,8-dimethyl-2H-chromen-7-ol
• CAS: 1609940-30-8
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: PULXRCIRTPAZIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-戊醛 、 2,5-二甲基间苯二酚 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 2-ethyl-5,8-dimethyl-2H-chromen-7-ol 、 4-ethyl-5,8-dimethylchroman-2,7-diol 、 2,8-diethyl-5,10-dimethyl-2,8-dihydropyrano[3,2-g]chromene
  参考文献：
  名称：

  2-Alkenal-scavenging ability of m-diphenols

  摘要：

  The reaction between m-diphenols (resorcinol, 2-methylresorcinol, 2,5-dimethylresorcinol, 3-methylphenol, orcinol, and phloroglucinol) and 2-alkenals (2-pentenal and 2-octenal) was studied in an attempt to understand the chemical pathways involved in the scavenging ability of m-diphenols for the 2-alkenals produced as a consequence of lipid oxidation. Phenols reacted chemically with 2-alkenals producing a number of 2H-chromenols, chromandiols, chromanols, and dihydropyrano[3,2-g]chromenes, which were isolated and identified by 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). The identification of all these compounds resulted in the construction of a general pathway for these reactions. These results confirm that the 2-alkenal-scavenging ability of m-diphenols is a consequence of their structure. This is a complex reaction in which many different products are formed. The most stable products were the chromandiols. However, the main reaction products were the 2H-chromenols. These products were unstable and disappeared as a consequence of polymerisation and browning reactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2014.03.071