5-butyl-4-(4-fluorophenyl)-3-phenylisoxazole | 1346530-62-8

• 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: 5-butyl-4-(4-fluorophenyl)-3-phenylisoxazole
• 英文别名: 5-Butyl-4-(4-fluorophenyl)-3-phenyl-1,2-oxazole
• CAS: 1346530-62-8
• 化学式: C₁₉H₁₈FNO
• 分子量: 295.356
• InChiKey: JVVNRJZRUBKLGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  benzyl hydroxy(1-phenylhept-2-yn-1-yl)carbamate 在 2,2'-联吡啶 、 tris-(dibenzylideneacetone)dipalladium(0) 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 29.0h， 生成 5-butyl-4-(4-fluorophenyl)-3-phenylisoxazole
  参考文献：
  名称：

  Transition-Metal-Catalyzed Uninterrupted Four-Step Sequence to Access Trisubstituted Isoxazoles

  摘要：

  We describe herein a novel uninterrupted four-step sequence to access trisubstituted isoxazoles from readily available propargylic alcohols using sequentially iron and palladium catalytic systems. The advantages of such a strategy are illustrated by the high overall yields and the time-saving procedure that are reported.

  DOI：

  10.1021/ol202719n

文献信息

• Transition-Metal-Catalyzed Uninterrupted Four-Step Sequence to Access Trisubstituted Isoxazoles
  作者：Eric Gayon、Ophélie Quinonero、Sébastien Lemouzy、Emmanuel Vrancken、Jean-Marc Campagne

  DOI：10.1021/ol202719n

  日期：2011.12.16

  We describe herein a novel uninterrupted four-step sequence to access trisubstituted isoxazoles from readily available propargylic alcohols using sequentially iron and palladium catalytic systems. The advantages of such a strategy are illustrated by the high overall yields and the time-saving procedure that are reported.