4-dimethylaminoacetophenone O-vinyloxime | 1159490-62-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-dimethylaminoacetophenone O-vinyloxime
• CAS: 1159490-62-6
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: UPAABGLDMJZACO-JLHYYAGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  24.83
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-dimethylaminoacetophenone O-vinyloxime 以 二甲基亚砜 为溶剂， 反应 1.0h， 以89%的产率得到2-(4'-dimethylaminophenyl)-1H-pyrrole
  参考文献：
  名称：

  4-Dimethylaminoacetophenone O-vinyloxime: Synthesis and steric structure

  摘要：

  4-Dimethylaminoacetophenone oxime was synthesized from 4-dimethylaminoacetophenone and hydroxylamine hydrochloride. Its reaction with acetylene in the system KOH-DMSO gave previously unknown 4-dimethylaminoacetophenone O-vinyloxime as the major product. According to the experimental data and quantum-chemical calculations, 4-dimethylaminoacetophenone O-vinyloxime is formed as the only E isomer with preferential s-trans conformation of the vinyloxy group, which is characterized by essentially nonplanar structure.

  DOI：

  10.1134/s1070428008100163
• 作为产物：
  描述：

  4-dimethylaminoacetophenone oxime 、 乙炔 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 80.0 ℃ 、1.52 MPa 条件下， 反应 1.0h， 以70%的产率得到4-dimethylaminoacetophenone O-vinyloxime
  参考文献：
  名称：

  4-Dimethylaminoacetophenone O-vinyloxime: Synthesis and steric structure

  摘要：

  4-Dimethylaminoacetophenone oxime was synthesized from 4-dimethylaminoacetophenone and hydroxylamine hydrochloride. Its reaction with acetylene in the system KOH-DMSO gave previously unknown 4-dimethylaminoacetophenone O-vinyloxime as the major product. According to the experimental data and quantum-chemical calculations, 4-dimethylaminoacetophenone O-vinyloxime is formed as the only E isomer with preferential s-trans conformation of the vinyloxy group, which is characterized by essentially nonplanar structure.

  DOI：

  10.1134/s1070428008100163