1-(2,4-Dimethoxy-phenyl)-buten-(3)-on-(1) | 15852-68-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-Dimethoxy-phenyl)-buten-(3)-on-(1)
• 英文别名: 1-(2,4-dimethoxyphenyl)but-3-en-1-one；1-(2,4-Dimethoxyphenyl)but-3-en-1-one
• CAS: 15852-68-3
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: FCJHPIVLJNCYRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,4-Dimethoxy-phenyl)-buten-(3)-on-(1) 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Pd-Catalyzed Carboetherification of β,γ-Unsaturated Oximes: A Novel Approach to Δ²-Isoxazolines

  摘要：

  A novel route to the synthesis of Delta(2)-isoxazoline derivatives is described. Reaction of beta,gamma-unsaturated oximes with aryl bromides via palladium-catalyzed carboetherification affords 3,5-disubstituted Delta(2)-isoxazolines in good yields. The use of Xantphos as ligand is crucial for the transformation. The carboetherification products can be further converted to beta-hydroxy ketones in the presence of Fe powder and NH(4)Cl.

  DOI：

  10.1021/ol8002173
• 作为产物：
  描述：

  1-(2,4-dimethoxyphenyl)but-3-en-1-ol 在 sodium dichromate 、 硫酸 作用下， 以 乙醚 为溶剂， 生成 1-(2,4-Dimethoxy-phenyl)-buten-(3)-on-(1)
  参考文献：
  名称：

  Pd-Catalyzed Carboetherification of β,γ-Unsaturated Oximes: A Novel Approach to Δ²-Isoxazolines

  摘要：

  A novel route to the synthesis of Delta(2)-isoxazoline derivatives is described. Reaction of beta,gamma-unsaturated oximes with aryl bromides via palladium-catalyzed carboetherification affords 3,5-disubstituted Delta(2)-isoxazolines in good yields. The use of Xantphos as ligand is crucial for the transformation. The carboetherification products can be further converted to beta-hydroxy ketones in the presence of Fe powder and NH(4)Cl.

  DOI：

  10.1021/ol8002173

文献信息

• Pd-Catalyzed Carboetherification of β,γ-Unsaturated Oximes: A Novel Approach to Δ²-Isoxazolines
  作者：Dahong Jiang、Jinsong Peng、Yuanwei Chen

  DOI：10.1021/ol8002173

  日期：2008.5.1

  A novel route to the synthesis of Delta(2)-isoxazoline derivatives is described. Reaction of beta,gamma-unsaturated oximes with aryl bromides via palladium-catalyzed carboetherification affords 3,5-disubstituted Delta(2)-isoxazolines in good yields. The use of Xantphos as ligand is crucial for the transformation. The carboetherification products can be further converted to beta-hydroxy ketones in the presence of Fe powder and NH(4)Cl.