3-acetyl-5,5-diethyl-4-hydroisoxazole | 1631147-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3-acetyl-5,5-diethyl-4-hydroisoxazole
• 英文别名: 1-(5,5-diethyl-4H-1,2-oxazol-3-yl)ethanone
• CAS: 1631147-66-4
• 化学式: C₉H₁₅NO₂
• 分子量: 169.224
• InChiKey: NZRALODBNMFBHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-乙基-1-丁烯 、 丙酮 在 甲酸 、 copper(II) nitrate trihydrate 作用下， 反应 18.0h， 以13%的产率得到3-acetyl-5,5-diethyl-4-hydroisoxazole
  参考文献：
  名称：

  A Convenient Synthetic Method of Isoxazole Derivatives Using Copper(II) Nitrate

  摘要：

  3-Acetylisoxazoles were synthesized by the reaction of alkenes or alkynes in acetone as solvent with copper(II) nitrate and formic acid. In the case of ethyl acetate as solvent, 3-benzoylisoxazoles were yielded by the reaction of alkynes and acetophenone with copper(II) nitrate and nitric acid. This synthetic method provides a convenient production of isoxazole derivatives.

  DOI：

  10.3987/com-14-12979

文献信息

• A Convenient Synthetic Method of Isoxazole Derivatives Using Copper(II) Nitrate
  作者：Ken-ichi Itoh、Tadashi Aoyama、Hiroaki Satoh、Kenta Hasegawa、Natsumi Meguro、Akira C. Horiuchi、Toshio Takido、Mitsuo Kodomari

  DOI：10.3987/com-14-12979

  日期：——

  3-Acetylisoxazoles were synthesized by the reaction of alkenes or alkynes in acetone as solvent with copper(II) nitrate and formic acid. In the case of ethyl acetate as solvent, 3-benzoylisoxazoles were yielded by the reaction of alkynes and acetophenone with copper(II) nitrate and nitric acid. This synthetic method provides a convenient production of isoxazole derivatives.