(3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)methanol | 1239346-71-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)methanol
• 英文别名: [3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol；[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanol
• CAS: 1239346-71-4
• 化学式: C₁₁H₉ClFNO₂
• 分子量: 241.649
• InChiKey: LPQRRTCSMGOUTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  375.9±42.0 °C(Predicted)
• 密度：
  1.365±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)methanol 在 potassium permanganate 、 disodium hydrogenphosphate 、 盐酸 、 sodium thiosulfate 、 sodium chloride 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 以87%的产率得到3-(2-氯-6-氟苯基)-5-甲基异恶唑-4-羧酸
  参考文献：
  名称：

  KMnO₄-Mediated Oxidation as a Continuous Flow Process

  摘要：

  An efficient and easily scalable transformation of alcohols and aldehydes to carboxylic acids and nitroalkane derivatives to the corresponding carbonyls and carboxylic acids using permanganate as the oxidant within a continuous flow reactor is reported. Notably, the generation and downstream processing of MnO2 slurries was not found to cause any blocking of the reactor when ultrasound pulses were applied to the flow system.

  DOI：

  10.1021/ol101345z
• 作为产物：
  描述：

  3-(2-氯-6-氟苯基)-5-甲基异唑-4-羰基氯 在 sodium tetrahydroborate 作用下， 生成 (3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)methanol
  参考文献：
  名称：

  KMnO₄-Mediated Oxidation as a Continuous Flow Process

  摘要：

  An efficient and easily scalable transformation of alcohols and aldehydes to carboxylic acids and nitroalkane derivatives to the corresponding carbonyls and carboxylic acids using permanganate as the oxidant within a continuous flow reactor is reported. Notably, the generation and downstream processing of MnO2 slurries was not found to cause any blocking of the reactor when ultrasound pulses were applied to the flow system.

  DOI：

  10.1021/ol101345z

文献信息

• KMnO₄-Mediated Oxidation as a Continuous Flow Process
  作者：Jörg Sedelmeier、Steven V. Ley、Ian R. Baxendale、Marcus Baumann

  DOI：10.1021/ol101345z

  日期：2010.8.20

  An efficient and easily scalable transformation of alcohols and aldehydes to carboxylic acids and nitroalkane derivatives to the corresponding carbonyls and carboxylic acids using permanganate as the oxidant within a continuous flow reactor is reported. Notably, the generation and downstream processing of MnO2 slurries was not found to cause any blocking of the reactor when ultrasound pulses were applied to the flow system.