5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)isoxazole | 1349699-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)isoxazole
• 英文别名: 5-(4-Chlorophenyl)-3-(4-octoxyphenyl)-1,2-oxazole；5-(4-chlorophenyl)-3-(4-octoxyphenyl)-1,2-oxazole
• CAS: 1349699-48-4
• 化学式: C₂₃H₂₆ClNO₂
• 分子量: 383.918
• InChiKey: ULJSGVKUKMAIFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)-4,5-dihydroisoxazole 在 manganese(IV) oxide 作用下， 以 苯 为溶剂， 反应 10.0h， 以70%的产率得到5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)isoxazole
  参考文献：
  名称：

  Expeditious preparation of isoxazoles from Δ2-isoxazolines as advanced intermediates for functional materials

  摘要：

  A collection of isoxazoles derivatives has been efficiently synthesized in three steps. The oximation reaction of aldehydes followed by nitrile oxide [3+2] 1,3-dipolar cycloaddition and MnO2-oxidation reaction furnished the title compounds which were purified by simple filtration on celite (R). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.122

文献信息

• Expeditious preparation of isoxazoles from Δ2-isoxazolines as advanced intermediates for functional materials
  作者：Guilherme D. Vilela、Rafaela R. da Rosa、Paulo H. Schneider、Ivan H. Bechtold、Juliana Eccher、Aloir A. Merlo

  DOI：10.1016/j.tetlet.2011.09.122

  日期：2011.12

  A collection of isoxazoles derivatives has been efficiently synthesized in three steps. The oximation reaction of aldehydes followed by nitrile oxide [3+2] 1,3-dipolar cycloaddition and MnO2-oxidation reaction furnished the title compounds which were purified by simple filtration on celite (R). (C) 2011 Elsevier Ltd. All rights reserved.