4-methylphenyl 5-ethoxy-4-chloroisothiazol-3-yl ketone | 1069133-60-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methylphenyl 5-ethoxy-4-chloroisothiazol-3-yl ketone
• 英文别名: (4-chloro-5-ethoxy-1,2-thiazol-3-yl)-(4-methylphenyl)methanone
• CAS: 1069133-60-3
• 化学式: C₁₃H₁₂ClNO₂S
• 分子量: 281.763
• InChiKey: IYKYUQGDFPCEFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,5-dichloroisothiazol-3-yl 4-methylphenyl ketone 、 乙醇 在 sodium ethanolate 作用下， 反应 10.0h， 以70%的产率得到4-methylphenyl 5-ethoxy-4-chloroisothiazol-3-yl ketone
  参考文献：
  名称：

  Synthesis and some reactions of aryl 4,5-dichloroisothiazol-3-yl ketones

  摘要：

  By acylation of benzene, toluene, and p-xylene with 4,5-dichloroisothiazole-3-carbonyl chloride the corresponding aryl 4,5-dichloroisothiazol-3-yl ketones were obtained. By reaction of 4,5-dichloroisothiasol-3-yl 4-methylphenyl ketone with piperidine, alkyl(aryl) thiolates, sodium alcoholates, and 2,4-dinitrophenylhydrazine were synthesized 4-methylphenyl 5-piperidyl-4-chloroisothiazol-3-yl ketone, 5-alkyl(aryl) sulfanyl-4chloroisothiazol-3- yl 4-methylphenyl ketones, 5-alkoxy-4-chloroisothiazol-3-yl 4-methylphenyl ketones, and 2,4-dinitrophenylhydrazone of the initial ketone respectively.

  DOI：

  10.1134/s1070428007100211