5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)-4,5-dihydroisoxazole | 1349699-16-6

• 英文名称: 5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)-4,5-dihydroisoxazole
• CAS: 1349699-16-6
• 化学式: C₂₃H₂₈ClNO₂
• 分子量: 385.934
• InChiKey: VZYAEXDHBHUFQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.95
• 重原子数：
  27.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  30.82
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  4-氯苯乙烯 、 4-(n-octyloxy)benzaldoxime 在 吡啶 、 N-氯代丁二酰亚胺 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以43%的产率得到5-(4-chlorophenyl)-3-(4-(octyloxy)phenyl)-4,5-dihydroisoxazole
  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