1-[3-(4-Bromo-phenyl)-isoxazol-5-yl]-ethanone | 154523-10-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-(4-Bromo-phenyl)-isoxazol-5-yl]-ethanone
• 英文别名: 1-[3-(4-Bromophenyl)-1,2-oxazol-5-yl]ethanone；1-[3-(4-bromophenyl)-1,2-oxazol-5-yl]ethanone
• CAS: 154523-10-1
• 化学式: C₁₁H₈BrNO₂
• 分子量: 266.094
• InChiKey: AQSCBBDMQKLIGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  亚磷酸二乙酯 、 1-[3-(4-Bromo-phenyl)-isoxazol-5-yl]-ethanone 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以79%的产率得到{1-[3-(4-Bromo-phenyl)-isoxazol-5-yl]-1-hydroxy-ethyl}-phosphonic acid diethyl ester
  参考文献：
  名称：

  Synthesis and herbicidal activity of isoxazole-substituted 1-aminoethylphosphonates and 1-hydroxyethylphosphonates

  摘要：

  AbstractIsoxazole‐substituted 1‐aminoethyl‐ and 1‐hydroxyethyiphosphonates were synthesized by a multi‐step procedure and were screened for herbicidal activity against Lepidium sativum L. and Cucumis sativus L. All the synthesized compounds exhibited notable herbicidal activity.

  DOI：

  10.1002/ps.2780400204
• 作为产物：
  描述：

  p-bromobenzonitrile N-oxide 在 吡啶 、 chromium(VI) oxide 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 1-[3-(4-Bromo-phenyl)-isoxazol-5-yl]-ethanone
  参考文献：
  名称：

  Synthesis and herbicidal activity of isoxazole-substituted 1-aminoethylphosphonates and 1-hydroxyethylphosphonates

  摘要：

  AbstractIsoxazole‐substituted 1‐aminoethyl‐ and 1‐hydroxyethyiphosphonates were synthesized by a multi‐step procedure and were screened for herbicidal activity against Lepidium sativum L. and Cucumis sativus L. All the synthesized compounds exhibited notable herbicidal activity.

  DOI：

  10.1002/ps.2780400204

文献信息

• Synthesis and herbicidal activity of isoxazole-substituted 1-aminoethylphosphonates and 1-hydroxyethylphosphonates
  作者：Witold Wielkopolski、Robert Śmieszek、Stanislaw Witek、Andrzej Dabrowski、Piotr Wieczorek、Barbara Lejczak、Pawel Kafarski

  DOI：10.1002/ps.2780400204

  日期：1994.2

  AbstractIsoxazole‐substituted 1‐aminoethyl‐ and 1‐hydroxyethyiphosphonates were synthesized by a multi‐step procedure and were screened for herbicidal activity against Lepidium sativum L. and Cucumis sativus L. All the synthesized compounds exhibited notable herbicidal activity.