6-hydroxy-2-methyl-7-oxo-cyclohepta-1,3,5-trienecarboxylic acid | 10049-84-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 6-hydroxy-2-methyl-7-oxo-cyclohepta-1,3,5-trienecarboxylic acid
• 英文别名: 6-Hydroxy-2-methyl-7-oxo-cyclohepta-1,3,5-triencarbonsaeure；6-Hydroxy-2-methyl-7-oxo-1,3,5-cycloheptatriene-1-carboxylic acid；2-hydroxy-7-methyl-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
• CAS: 10049-84-0
• 化学式: C₉H₈O₄
• 分子量: 180.16
• InChiKey: QZALPHQQEHZCSA-UHFFFAOYSA-N

物化性质

• 沸点：
  362.6±42.0 °C(Predicted)
• 密度：
  1.455±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-hydroxy-2-methyl-7-oxo-cyclohepta-1,3,5-trienecarboxylic acid 生成 6-hydroxy-2-methyl-7-oxo-cyclohepta-1,3,5-trienecarboxylic acid benzylamide
  参考文献：
  名称：

  Nozoe et al., Proceedings of the Japan Academy, 1953, vol. 29, p. 17

  摘要：

  DOI：
• 作为产物：
  描述：

  红倍酚 在 氢氧化钾 、 双氧水 作用下， 生成 6-hydroxy-2-methyl-7-oxo-cyclohepta-1,3,5-trienecarboxylic acid
  参考文献：
  名称：

  Nozoe et al., Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., 1954, vol. 38, p. 257,266

  摘要：

  DOI：

文献信息

• Monoaryl- and Bisaryldihydroxytropolones as Potent Inhibitors of Inositol Monophosphatase
  作者：Serge R. Piettre、Catherine André,、Marie-Christine Chanal、Jean-Bernard Ducep、Brigitte Lesur、François Piriou、Pierre Raboisson、Jean-Michel Rondeau、Charles Schelcher、Pascale Zimmermann、Axel J. Ganzhorn

  DOI：10.1021/jm9701942

  日期：1997.12.1

  The first successful preparation of mono- and disubstituted 3,7-dihydroxytropolone involves a four-step synthetic scheme. Thus, bromination of 3,7-dihydroxytropolone (8) followed by permethylation of the resultant products furnished gram quantities of intermediates 13-18. Single or double Suzuki coupling reactions between these permethylated monobromo- and dibromodihydroxytropolone derivatives and

  单取代和双取代的3,7-二羟基tropolone的第一个成功制备涉及四个步骤的合成方案。因此，将3，7-二羟基tropolone（8）溴化，然后将所得产物进行全甲基化，得到了克量的中间体13-18。这些全甲基化的单溴代和二溴代二羟基tropolone衍生物与各种硼酸之间的单或双Suzuki偶联反应可提供预期的产物，其脱保护基团可得到所需的化合物1a-u和26a-n，通常收率一般至良好收率。发现Tropolones 1和26是肌醇单磷酸酶的有效抑制剂，IC50值在低微摩尔范围内。在最近描述的3，7-二羟基对苯二酚对酶的新颖抑制方式的背景下讨论了结果。
• Crow et al., Journal of the Chemical Society, 1952, p. 3705,3711
  作者：Crow et al.

  DOI：——

  日期：——
• Spectral characteristic of infrared radiations of some acupoint and non-acupoint areas in human arm surface
  作者：Guanghong Ding、Wei Yao、Junhao Chu、Xueyong Shen、Zhiming Huang、Huansheng Cheng、Hui Liu、Shenzhang Wang、Jing Yang、Hu Wei、Lun Fei

  DOI：10.1007/bf03182835

  日期：2001.4

  Using infrared spectrum detective device, we experiment on Neiguan, Laogong and Hegu acupoints of seven adult volunteers as well as contrastive points beside ones. We get 63 infrared spectrums. The experiment outcome tells us that the differences of the Intensities among individuals are great, and so are the differences between acupoint and non-acupoint areas. However, the differences of spectral character are small, which indicates that infrared radiations of human body are based on the same biophysical fundament.