4-deutero-3-(4-methoxyphenyl)-5-propylisoxazole | 1337980-24-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-deutero-3-(4-methoxyphenyl)-5-propylisoxazole
• 英文别名: 4-Deuterio-3-(4-methoxyphenyl)-5-propyl-1,2-oxazole；4-deuterio-3-(4-methoxyphenyl)-5-propyl-1,2-oxazole
• CAS: 1337980-24-1
• 化学式: C₁₃H₁₅NO₂
• 分子量: 218.26
• InChiKey: IRIOHHFMELHJIC-QOWOAITPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  1-pentynyldimethylalane 、 ALPHA-氯-4-甲氧基苯甲醛肟 在 三甲基铝 、 氘代甲醇-d 作用下， 以 甲苯 为溶剂， 反应 1.08h， 以53%的产率得到4-deutero-3-(4-methoxyphenyl)-5-propylisoxazole
  参考文献：
  名称：

  Direct Synthesis of Polysubstituted Aluminoisoxazoles and Pyrazoles by a Metalative Cyclization

  摘要：

  Alumino-heteroles are obtained from simple precursors in a fully chemo- and regioselective manner by a metalative cyclization. The carbon-aluminum bond is still able to react further with several electrophiles, without the need of transmetalation. This synthetic route provides a novel entry to heterocyclic organoaluminum reagents as well as a straightforward access to 3,4,5-trisubstituted isoxazoles and 1,3,4,5-tetrasubstituted pyrazoles.

  DOI：

  10.1021/ol202389u

文献信息

• Direct Synthesis of Polysubstituted Aluminoisoxazoles and Pyrazoles by a Metalative Cyclization
  作者：Olivier Jackowski、Thomas Lecourt、Laurent Micouin

  DOI：10.1021/ol202389u

  日期：2011.10.21

  Alumino-heteroles are obtained from simple precursors in a fully chemo- and regioselective manner by a metalative cyclization. The carbon-aluminum bond is still able to react further with several electrophiles, without the need of transmetalation. This synthetic route provides a novel entry to heterocyclic organoaluminum reagents as well as a straightforward access to 3,4,5-trisubstituted isoxazoles and 1,3,4,5-tetrasubstituted pyrazoles.