1-(3,4-二羟基苯基)-6,7-二羟基-1,2-二氢萘-2,3-二甲酸 | 130752-21-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基四氢萘木脂素
• 中文名称: 1-(3,4-二羟基苯基)-6,7-二羟基-1,2-二氢萘-2,3-二甲酸
• 英文名称: 1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid
• 英文别名: 2,3-dicarboxy-6,7-dihydroxy-1-(3',4'-dihydroxy)-phenyl-1,2-dihydronaphthalene；1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
• CAS: 130752-21-5
• 化学式: C₁₈H₁₄O₈
• 分子量: 358.304
• InChiKey: WJMFXQBNYLYADA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  156
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(3,4-二羟基苯基)-6,7-二羟基-1,2-二氢萘-2,3-二甲酸 、 硫酸二甲酯 生成 1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-1,2-dihydro-naphthalene-2,3-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Agata, Isao; Hatano, Tsutomu; Nishibe, Sansei, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 8, p. 3223 - 3225

  摘要：

  DOI：
• 作为产物：
  描述：

  阿魏酸 、 Methyl caffeate 生成 1-(3,4-二羟基苯基)-6,7-二羟基-1,2-二氢萘-2,3-二甲酸
  参考文献：
  名称：

  Agata, Isao; Hatano, Tsutomu; Nishibe, Sansei, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 8, p. 3223 - 3225

  摘要：

  DOI：

文献信息

• Convenient syntheses of neurotrophic americanol A and isoamericanol A by HRP catalyzed oxidative coupling of caffeic acid
  作者：Keiji Matsumoto、Hironobu Takahashi、Youko Miyake、Yoshiyasu Fukuyama

  DOI：10.1016/s0040-4039(99)00410-4

  日期：1999.4

  Extremely simple syntheses of americanol A (1) and isoamericanol A (2) having intriguing neurotrophic properties have been accomplished by HRP catalyzed oxidative coupling of caffeic acid.

  通过HRP催化的咖啡酸氧化偶联，已经完成了具有极强的神经营养特性的美洲醇A（1）和异辛醇A（2）的极其简单的合成。
• Chemical Cross-Linking Gelatin with Natural Phenolic Compounds as Studied by High-Resolution NMR Spectroscopy
  作者：Xiaoqing Zhang、My Dieu Do、Philip Casey、Adrian Sulistio、Greg G. Qiao、Leif Lundin、Peter Lillford、Shansha Kosaraju

  DOI：10.1021/bm1001284

  日期：2010.4.12

  Cross-linking gelatin with natural phenolic compound caffeic acid (CA) or tannic acid (TA) above pH 9 resulted in formation of insoluble hydrogels. The cross-linking reactivity was controlled by variation of pH, the concentration of the gelatin solution, or the amount of CA or TA used in the reaction. The cross-linking chemistry was studied by high-resolution NMR technique in both solution and solid state via investigation on small molecular model systems or using C-13 enriched caffeic acid (LCA) in the reaction with gelatin. Direct evidence was obtained to confirm the chemical reactions occurring between the phenolic reactive sites of the phenolic compounds and the amino groups in gelatin to form C-N covalent bonds as cross-linking linkages in gelatin matrix. The crosslinked network was homogeneous on a scale of 2-3 nm. The cross-linking resulted in a significant decrease in the molecular mobility of the hydrogels, while the modulus of the films remained at high values at high temperatures.
• Agata, Isao; Hatano, Tsutomu; Nishibe, Sansei, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 8, p. 3223 - 3225
  作者：Agata, Isao、Hatano, Tsutomu、Nishibe, Sansei、Okuda, Takuo

  DOI：——

  日期：——