(Z)-2-Bromo-3-(4-chloro-phenyl)-1-p-tolyl-propenone | 1122500-66-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (Z)-2-Bromo-3-(4-chloro-phenyl)-1-p-tolyl-propenone
• CAS: 1122500-66-6
• 化学式: C₁₆H₁₂BrClO
• 分子量: 335.628
• InChiKey: JLNCMOCYOZGAAA-UHFFFAOYSA-N

物化性质

• 沸点：
  443.8±45.0 °C(predicted)
• 密度：
  1.452±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (Z)-2-Bromo-3-(4-chloro-phenyl)-1-p-tolyl-propenone 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以75%的产率得到3-(p-chlorophenyl)-5-(p-tolyl)pyrazole
  参考文献：
  名称：

  Shivarama Holla; Venkatramana Udupa, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 9, p. 887 - 889

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-dibromo-3-(4-chlorophenyl)-1-(4-methylphenyl)propan-1-one 在 三乙胺 作用下， 以 苯 为溶剂， 生成 (Z)-2-Bromo-3-(4-chloro-phenyl)-1-p-tolyl-propenone
  参考文献：
  名称：

  Analgesic and antimicrobial studies of some 2,4-dichloro-5-fluorophenyl containing arylidenetriazolothiadiazines

  摘要：

  2,4-Dichloro-5-fluorophenyl containing 7-arylidenetriazolothiadiazines were obtained by the reaction of 4-amino-3-(2,4-dichloro-5-fluorophenyl)-5-mercapto-1,2,4-triazole with 2,3-dibromo-1,3-diarylpropan-1-ones, and also by the reaction of 4-amino-3-(2,4-dichloro-5-fluorophenyl)-5-mercapto-1,2,4-triazole with alpha-bromopropenones in the presence of a base. The structure of the 7-arylidenetriazolothiadiazines was confirmed by an alternative synthesis. A plausible mechanism for the formation of 7-arylidenetriazolothiadiazines is proposed. All newly synthesized compounds were screened for their analgesic and antimicrobial activities. Compounds bearing 4-chlorophenyl or 3,4-methylenedioxyphenyl moieties at position 7 of the arylidenetriazolothiadiazines showed excellent analgesic activity. Arylidenetriazolothiadiazines carrying a phenyl, 4-chlorophenyl, 4-methylphenyl, 3,4-dimethoxyphenyl, and 2,4-dichlorophenyl moieties at position 7 showed excellent antibacterial and antifungal activities.

  DOI：

  10.1007/s00706-007-0797-9