8-hydroxy-1,2,3,4-tetrahydro-2-quinolone-4-carboxylic acid | 99102-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-hydroxy-1,2,3,4-tetrahydro-2-quinolone-4-carboxylic acid
• 英文别名: 8-hydroxy-2-oxo-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid；1,2,3,4-Tetrahydro-8-hydroxy-2-oxo-4-quinolinecarboxylic acid；8-hydroxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
• CAS: 99102-29-1
• 化学式: C₁₀H₉NO₄
• 分子量: 207.186
• InChiKey: NHTKSHBZFVIIPK-UHFFFAOYSA-N

物化性质

• 沸点：
  481.6±45.0 °C(Predicted)
• 密度：
  1.485±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-hydroxyoxindole-3-acetic acid 在 氢气 作用下， 生成 8-hydroxy-1,2,3,4-tetrahydro-2-quinolone-4-carboxylic acid
  参考文献：
  名称：

  Occurrence and metabolism of 7-hydroxy-2-indolinone-3-acetic acid in zea mays

  摘要：

  7-Hydroxy-2-indolinone-3-acetic acid was identified as a catabolite of indole-3-acetic acid in germinating kernels of Zea mays and found to be present in amounts of ca 3.1 nmol/kernel. 7-Hydroxy-2-indolinone-3-acetic acid was shown to be a biosynthetic intermediate between 2-indolinone-3-acetic acid and 7-hydroxy-2-indolinone-3-acetic acid-7'-O-glucoside in both kernels and roots of Zea mays. Further metabolism of 7-hydroxy-2-[5-3H]-indolinone-3-acetic acid-7'-O-glucoside occurred to yield tritiated water plus, as yet, uncharacterized products.

  DOI：

  10.1016/s0031-9422(00)81790-2