methyl 7-hydroxy-5-methoxy-2-methylchromone-6-carboxylate | 138565-06-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: methyl 7-hydroxy-5-methoxy-2-methylchromone-6-carboxylate
• 英文别名: Methyl 7-Hydroxy-5-Methoxy-2-Methyl-4-Oxo-4H 1-Benzopyran-6-Carboxylate；methyl 7-hydroxy-5-methoxy-2-methyl-4-oxo-4H-l-benzopyran-6-carboxylate；methyl 7-hydroxy-5-methoxy-2-methyl-4-oxochromene-6-carboxylate
• CAS: 138565-06-7
• 化学式: C₁₃H₁₂O₆
• 分子量: 264.235
• InChiKey: DYKUFZZUAROLBO-UHFFFAOYSA-N

物化性质

• 沸点：
  470.7±45.0 °C(Predicted)
• 密度：
  1.352±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 7-hydroxy-5-methoxy-2-methylchromone-6-carboxylate 、 碘甲烷 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到methyl 5,7-dimethoxy-2-methyl-4-oxo-4H-1-benzopyran-6-carboxylate
  参考文献：
  名称：

  Heterocyclic compounds: 2-styryl-4H-1-benzopyran-4-ones

  摘要：

  式(I)的化合物##STR1##其中：R.sub.1代表氢原子、较低的烷基基团、羟基或较低的烷氧基团，R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和R.sub.11如描述中所定义。药物。

  公开号：

  US05409952A1
• 作为产物：
  描述：

  7-羟基-5-甲氧基-2-甲基-4-氧代-4H-1-苯并吡喃-6-甲醛 在 二氧化锰 、 溶剂黄146 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 以80%的产率得到methyl 7-hydroxy-5-methoxy-2-methylchromone-6-carboxylate
  参考文献：
  名称：

  Heterocyclic compounds: 2-styryl-4H-1-benzopyran-4-ones

  摘要：

  式(I)的化合物##STR1##其中：R.sub.1代表氢原子、较低的烷基基团、羟基或较低的烷氧基团，R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和R.sub.11如描述中所定义。药物。

  公开号：

  US05409952A1

文献信息

• Photodegradation of natural substances: Photooxygenation and Ozonolysis of 4-methoxy-7-methyl-5 H-furo [3,2-g][1]benzopyran-5-one (Visnagin)
  作者：Saana M. Sh. Atta、Orchide� H. Hishmat、H. Wamhoff

  DOI：10.1002/prac.19933350303

  日期：——

  The photooxygenation of 4-methoxy-7-me-thyl-5 H-furo[3,2-g][1]benzopyran-5-one (Visnagin, 1) in methanol in absence and in presence of a sensitizer (methylene blue) has been studied. 6-Formyl-7-hy-droxy-5-methoxy-2-methylchromone (4a), methyl 7-hydroxy-5-methoxy-2-methylchromone-6-carboxylate (4b) and 7-hydroxy-5-methoxy-2-methylchromone-6-carboxylic acid (4c) could be isolated and identified in each case. The formation can be interpreted in terms of intermediate production of a 1.2-dioxetane like 2.A comparative study on the ozonolysis of Visnagin (1) in ethyl acetate both in absence and in presence of dimethyl sulfide, was also undertaken. Ozone attacks 1 either at the furan ring (to give 4 a, c) or at both the furan and gamma-pyrone site (to afford 10). Possible reaction mechanisms are considered and the structures of the new products are based upon compatible and spectroscopic evidences.
• US5409952A
  申请人：——

  公开号：US5409952A

  公开（公告）日：1995-04-25