4-(4-methylthien-2-yl)-3,5-dimethylisoxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-methylthien-2-yl)-3,5-dimethylisoxazole
• 英文别名: 3,5-Dimethyl-4-(4-methylthiophen-2-yl)-1,2-oxazole
• 化学式: C₁₀H₁₁NOS
• 分子量: 193.269
• InChiKey: BBPMBQOQMIUOPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-methylthien-2-yl)-3,5-dimethylisoxazole 在 镍 氢气 、 草酸 作用下， 生成 3-(4-methylthien-2-yl)-2,4-pentanedione
  参考文献：
  名称：

  3-Aryl-2,4-pentanediones from 3,5-Dimethyl-4-iodoisoxazoles: An Application of a Palladium-Catalyzed Cross-Coupling Reaction

  摘要：

  3,5-Dimethyl-4-iodoisoxazole readily undergoes palladium-catalyzed coupling with arylboronic acids and organostannanes to form 4-aryl-3,5-dimthylisoxazoles. The unique nature of the isoxazole-ring is exploited to convert 4-aryl-3,5-dimethylisoxazoles to 3-aryl-2,4-pentanediones.

  DOI：

  10.1080/00397919408012650
• 作为产物：
  描述：

  3,5-二甲基-4-碘基异恶唑 、 tributyl(4-methylthiophen-2-yl)stannane 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以84%的产率得到4-(4-methylthien-2-yl)-3,5-dimethylisoxazole
  参考文献：
  名称：

  3-Aryl-2,4-pentanediones from 3,5-Dimethyl-4-iodoisoxazoles: An Application of a Palladium-Catalyzed Cross-Coupling Reaction

  摘要：

  3,5-Dimethyl-4-iodoisoxazole readily undergoes palladium-catalyzed coupling with arylboronic acids and organostannanes to form 4-aryl-3,5-dimthylisoxazoles. The unique nature of the isoxazole-ring is exploited to convert 4-aryl-3,5-dimethylisoxazoles to 3-aryl-2,4-pentanediones.

  DOI：

  10.1080/00397919408012650

文献信息

• 3-Aryl-2,4-pentanediones from 3,5-Dimethyl-4-iodoisoxazoles: An Application of a Palladium-Catalyzed Cross-Coupling Reaction
  作者：Sharada S. Labadie

  DOI：10.1080/00397919408012650

  日期：1994.3

  3,5-Dimethyl-4-iodoisoxazole readily undergoes palladium-catalyzed coupling with arylboronic acids and organostannanes to form 4-aryl-3,5-dimthylisoxazoles. The unique nature of the isoxazole-ring is exploited to convert 4-aryl-3,5-dimethylisoxazoles to 3-aryl-2,4-pentanediones.