6,8-dichloro-2-(3,4-dimethoxyphenyl)-3-methyl-4H-chromen-4-one | 1403357-09-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 6,8-dichloro-2-(3,4-dimethoxyphenyl)-3-methyl-4H-chromen-4-one
• 英文别名: 6,8-Dichloro-2-(3,4-dimethoxyphenyl)-3-methyl-4h-chromen-4-one；6,8-dichloro-2-(3,4-dimethoxyphenyl)-3-methylchromen-4-one
• CAS: 1403357-09-4
• 化学式: C₁₈H₁₄Cl₂O₄
• 分子量: 365.213
• InChiKey: CKHZRZFOCZNLLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6,8-dichloro-2-(3,4-dimethoxyphenyl)-3-methyl-4H-chromen-4-one 在 盐酸羟胺 、 potassium hydroxide 作用下， 以 甲醇 为溶剂， 以96%的产率得到2,4-dichloro-6-[3-(3,4-dimethoxyphenyl)-4-methylisoxazol-5-yl]phenol
  参考文献：
  名称：

  Regioselective synthesis of 3,5-diaryl-4-methylisoxazoles

  摘要：

  A new class of isoxazole derivatives, namely 2-(3-aryl-4-methylisoxazol-5-yl)phenols, has been efficiently synthesized through the regioselective reaction of 2-aryl-3-methylchromones with hydroxylamine. The products were characterized by spectroscopic methods and X-ray crystallography..

  DOI：

  10.1007/s00706-012-0782-9
• 作为产物：
  描述：

  2,4-dichlorophenol 在 aluminum (III) chloride 、 碘 、 sodium methylate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 0.5h， 生成 6,8-dichloro-2-(3,4-dimethoxyphenyl)-3-methyl-4H-chromen-4-one
  参考文献：
  名称：

  Regioselective synthesis of 3,5-diaryl-4-methylisoxazoles

  摘要：

  A new class of isoxazole derivatives, namely 2-(3-aryl-4-methylisoxazol-5-yl)phenols, has been efficiently synthesized through the regioselective reaction of 2-aryl-3-methylchromones with hydroxylamine. The products were characterized by spectroscopic methods and X-ray crystallography..

  DOI：

  10.1007/s00706-012-0782-9

文献信息

• Lokhande, Pradeep D.; Dalvi, Bhakti A.; Humne, Vivek T, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014, vol. 53, # 8, p. 1091 - 1097
  作者：Lokhande, Pradeep D.、Dalvi, Bhakti A.、Humne, Vivek T、Nawghare, Beena R.、Kareem, Abdul

  DOI：——

  日期：——
• Efficient Synthesis of 3-Methyl-Flavanones and Evaluation of Their Anti-Bacterial Activity
  作者：Beena Nawghare、Sharad Funde、Abdul Raheem、Pradeep Lokhande

  DOI：10.1002/cjoc.201200254

  日期：2012.8

  AbstractA series of 2‐phenyl‐2,3‐dihydrochromon‐4‐one derivatives (flavanone derivatives) were synthesized by silica gel assisted isomerization of several α‐methyl‐2′‐hydroxy chalcones in 74%–88% yield. These flavanones were further oxidized to 3‐methyl flavones by using iodine in dimethyl sulphoxide at 60°C in presence of acid. The newly synthesized derivatives were evaluated for in vitro study against Staphylococcus aureus, Micrococcus luteus and Staphylococcus epidermis.
• Regioselective synthesis of 3,5-diaryl-4-methylisoxazoles
  作者：Pradeep D. Lokhande、Kamal Hasanzadeh、Hamid Khaledi、Hapipah Mohd Ali

  DOI：10.1007/s00706-012-0782-9

  日期：2013.2

  A new class of isoxazole derivatives, namely 2-(3-aryl-4-methylisoxazol-5-yl)phenols, has been efficiently synthesized through the regioselective reaction of 2-aryl-3-methylchromones with hydroxylamine. The products were characterized by spectroscopic methods and X-ray crystallography..