2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoic acid | 219700-72-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoic acid
• 英文别名: 2-O-methyllecanoric acid；2-hydroxy-4-(4-hydroxy-2-methoxy-6-methyl-benzoyloxy)-6-methyl-benzoic acid；2-Hydroxy-4-(4-hydroxy-2-methoxy-6-methyl-benzoyloxy)-6-methyl-benzoesaeure；4-Oxy-6-methoxy-2-methyl-benzoesaeure-(5-oxy-3-methyl-4-carboxy-phenylester)；Umbilicarinsaeure；Isoevernsaeure；2-hydroxy-4-(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid
• CAS: 219700-72-8
• 化学式: C₁₇H₁₆O₇
• 分子量: 332.31
• InChiKey: HITLOWFKFPUYRR-UHFFFAOYSA-N

物化性质

• 沸点：
  593.5±50.0 °C(Predicted)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  113.29
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoic acid 在 palladium on activated charcoal 氢气 、 potassium hydrogencarbonate 、 三氟乙酸酐 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 52.0h， 生成 3-hydroxyovoic acid
  参考文献：
  名称：

  Synthesis of New Lichen Tridepsides

  摘要：

  毫不含糊地完全合成了十种 O-甲基 和/或 C-羟基的衍生物 (1) 通过使用适当取代的苯甲酸和柠檬酸苄酯（33）或柠檬酸苄酯 苯甲酸和柠檬酸苄酯（33）或 2-O-甲基柠檬酸苄酯（33 2-O-甲基柠檬酸苄酯（32）进行缩合。

  DOI：

  10.1071/c98082
• 作为产物：
  描述：

  石茸酸 在 barium dihydroxide 作用下， 生成 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoic acid
  参考文献：
  名称：

  Prolyl Endopeptidase inhibitors from green tea

  摘要：

  Three prolyl endopeptidase (PEP) inhibitors were isolated from the methanolic extract of green tea leaves. They were identified as (-)-epigallocatechin gallate, (-)-epicatechin gallate, and (+)-gallocatechin gallate with the IC50 values of 1.42 x 10(-4) mM, 1.02 x 10(-2) mM, and 1.09 x 10(-4) mM, respectively. They were non-competitive with a substrate in Dixon plots and did not show any significant effects against other serine proteases such as elastase, trypsin, and chymotrypsin, suggesting that they were relatively specific inhibitors against PEP. The isolated compounds are expected to be useful for preventing and curing of Alzheimer's disease.

  DOI：

  10.1007/bf02975094

文献信息

• Asahina; Yosioka, Chemische Berichte, 1937, vol. 70, p. 200,204
  作者：Asahina、Yosioka

  DOI：——

  日期：——
• Self-ordered CdSe quantum dots in ZnSe and (Zn, Mn)Se Matrices Assessed by transmission electron microscopy and photoluminescence spectroscopy
  作者：P. Möck、T. Topuria、N. D. Browning、L. Titova、M. Dobrowolska、S. Lee、J. K. Furdyna

  DOI：10.1007/bf02665867

  日期：2001.6

  Single and multilayer sheets of self-assembled CdSe [quantum dots (QDs)] were grown by means of molecular beam epitaxy in both ZnSe and (Zn0.9Mn0.1)Se matrices. Both types of structures were assessed by means of transmission electron microscopy in the scanning, high-resolution, and diffraction-contrast modes. Complementary results from wider sample areas were obtained by means of photoluminescence spectroscopy. In one of the samples analyzed, a fractional monolayer of MnSe was deposited immediately before the CdSe deposition. A second structure grown underidentical conditions, but without the MnSe fractional monolayer, was also analyzed. This comparison provides direct evidence for an enhanced size and shape homogeneity of 3D QDs caused by the presence of a tiny amount of MnSe at the interface. In the multilayer structure, we observed the co-existence of highly strained quasi-2D QDs and CdSe rich aggregates with compositional modulations on certain crystallographic planes in close proximity.
• Prolyl Endopeptidase inhibitors from green tea
  作者：Jin-Hui Kim、Sang-In Kim、Kyung-Sik Song

  DOI：10.1007/bf02975094

  日期：2001.8

  Three prolyl endopeptidase (PEP) inhibitors were isolated from the methanolic extract of green tea leaves. They were identified as (-)-epigallocatechin gallate, (-)-epicatechin gallate, and (+)-gallocatechin gallate with the IC50 values of 1.42 x 10(-4) mM, 1.02 x 10(-2) mM, and 1.09 x 10(-4) mM, respectively. They were non-competitive with a substrate in Dixon plots and did not show any significant effects against other serine proteases such as elastase, trypsin, and chymotrypsin, suggesting that they were relatively specific inhibitors against PEP. The isolated compounds are expected to be useful for preventing and curing of Alzheimer's disease.
• Synthesis of New Lichen Tridepsides
  作者：John A. Elix、Vilas K. Jayanthi、Leslie F. McCaffery、Jin Yu

  DOI：10.1071/c98082

  日期：——

  The unambiguous total synthesis of ten O-methyl and/or C-hydroxy derivatives of gyrophoric acid (1) has been achieved by using the condensation of an appropriately substituted benzoic acid and benzyl lecanorate (33) or benzyl 2-O-methyllecanorate (32) in the key step.

  毫不含糊地完全合成了十种 O-甲基 和/或 C-羟基的衍生物 (1) 通过使用适当取代的苯甲酸和柠檬酸苄酯（33）或柠檬酸苄酯 苯甲酸和柠檬酸苄酯（33）或 2-O-甲基柠檬酸苄酯（33 2-O-甲基柠檬酸苄酯（32）进行缩合。