2-ethoxy-4,5-dihydroxybenzaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-ethoxy-4,5-dihydroxybenzaldehyde
• 化学式: C₉H₁₀O₄
• 分子量: 182.176
• InChiKey: QHCKBFFWIDZQGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  2-ethoxy-4,5-dihydroxybenzaldehyde 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以3 mg的产率得到2-ethoxy-4,5-dimethoxybenzaldehyde
  参考文献：
  名称：

  Phenolic Compounds from Tournefortia sarmentosa

  摘要：

  Three new isoprenylbenzenes, tournefolins A (1), B (2), and C (3), and two new 2-ethoxy-4,5-dihydroxybenzoyl compounds, 4 and 5, together with the known compounds, salicylic acid and allantoin, were isolated fi om the stems of Tournefortia sarmentosa. The structures of new compounds were elucidated as 2-(4 beta-methyltetrahydrofuran-2 alpha-yl)-5-(4 beta-methyltetrahydrofuran-2 beta-yl)-1,4-dihydroxybenzene(1), methyl 5-(5-hydroxy-2-methoxyphenyl)-3-furoate (2), methyl 5-(2,5-dihydroxyphenyl)-3-furoate (3), 2-ethoxy-4,5-dihydroxybenzaldehyde (4), and 2-ethoxy-4,5-dihydroxybenzoic acid (5), on the basis of spectral and chemical methods. The relative configuration of 1 was determined by single-crystal X-ray crystallography.

  DOI：

  10.1021/np9901332

文献信息

• Phenolic Compounds from <i>Tournefortia</i> <i>sarmentosa</i>
  作者：Yun-Lian Lin、Yu-Ling Tsai、Yueh-Hsiung Kuo、Yi-Hung Liu、Ming-Shi Shiao

  DOI：10.1021/np9901332

  日期：1999.11.1

  Three new isoprenylbenzenes, tournefolins A (1), B (2), and C (3), and two new 2-ethoxy-4,5-dihydroxybenzoyl compounds, 4 and 5, together with the known compounds, salicylic acid and allantoin, were isolated fi om the stems of Tournefortia sarmentosa. The structures of new compounds were elucidated as 2-(4 beta-methyltetrahydrofuran-2 alpha-yl)-5-(4 beta-methyltetrahydrofuran-2 beta-yl)-1,4-dihydroxybenzene(1), methyl 5-(5-hydroxy-2-methoxyphenyl)-3-furoate (2), methyl 5-(2,5-dihydroxyphenyl)-3-furoate (3), 2-ethoxy-4,5-dihydroxybenzaldehyde (4), and 2-ethoxy-4,5-dihydroxybenzoic acid (5), on the basis of spectral and chemical methods. The relative configuration of 1 was determined by single-crystal X-ray crystallography.

表征谱图