3-bromo-5-chloro-2-hydroxypropiophenone | 2892-15-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-bromo-5-chloro-2-hydroxypropiophenone
• 英文别名: 1-<3-Brom-5-chlor-2-hydroxy-phenyl>-propan-1-on；1-(3-Bromo-5-chloro-2-hydroxyphenyl)propan-1-one
• CAS: 2892-15-1
• 化学式: C₉H₈BrClO₂
• 分子量: 263.518
• InChiKey: FUVWMWBWOXKIFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  126–127°C
• 沸点：
  312.0±42.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-5-chloro-2-hydroxypropiophenone 在 盐酸羟胺 、 碘 、 sodium methylate 、 potassium hydroxide 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 0.5h， 生成 2-bromo-4-chloro-6-(4-methyl-3-phenylisoxazol-5-yl)-phenol
  参考文献：
  名称：

  Regioselective synthesis of 3,5-diaryl-4-methylisoxazoles

  摘要：

  A new class of isoxazole derivatives, namely 2-(3-aryl-4-methylisoxazol-5-yl)phenols, has been efficiently synthesized through the regioselective reaction of 2-aryl-3-methylchromones with hydroxylamine. The products were characterized by spectroscopic methods and X-ray crystallography..

  DOI：

  10.1007/s00706-012-0782-9
• 作为产物：
  描述：

  4-氯苯基丙酸酯 在 aluminum (III) chloride 、 溴 、 溶剂黄146 作用下， 生成 3-bromo-5-chloro-2-hydroxypropiophenone
  参考文献：
  名称：

  Regioselective synthesis of 3,5-diaryl-4-methylisoxazoles

  摘要：

  A new class of isoxazole derivatives, namely 2-(3-aryl-4-methylisoxazol-5-yl)phenols, has been efficiently synthesized through the regioselective reaction of 2-aryl-3-methylchromones with hydroxylamine. The products were characterized by spectroscopic methods and X-ray crystallography..

  DOI：

  10.1007/s00706-012-0782-9

文献信息

• Regioselective synthesis of 3,5-diaryl-4-methylisoxazoles
  作者：Pradeep D. Lokhande、Kamal Hasanzadeh、Hamid Khaledi、Hapipah Mohd Ali

  DOI：10.1007/s00706-012-0782-9

  日期：2013.2

  A new class of isoxazole derivatives, namely 2-(3-aryl-4-methylisoxazol-5-yl)phenols, has been efficiently synthesized through the regioselective reaction of 2-aryl-3-methylchromones with hydroxylamine. The products were characterized by spectroscopic methods and X-ray crystallography..