2-methyl-5-{4-[(3-(3-nitrophenyl)-5-isoxazolyl)methoxy]phenyl}-2H-tetrazole | 1262107-94-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-methyl-5-{4-[(3-(3-nitrophenyl)-5-isoxazolyl)methoxy]phenyl}-2H-tetrazole
• 英文别名: 2-Methyl-5-{4-[(3-(3-nitrophenyl)-5-isoxazolyl) methoxy]phenyl}-2h-tetrazole；5-[[4-(2-methyltetrazol-5-yl)phenoxy]methyl]-3-(3-nitrophenyl)-1,2-oxazole
• CAS: 1262107-94-7
• 化学式: C₁₈H₁₄N₆O₄
• 分子量: 378.347
• InChiKey: KQPPTUMGHCYDBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(2-methyl-2H-tetrazol-5-yl)phenol 、 3-(3-硝基苯基)-5-溴甲基异噁唑 在 potassium carbonate 、 potassium iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 24.0h， 以87%的产率得到2-methyl-5-{4-[(3-(3-nitrophenyl)-5-isoxazolyl)methoxy]phenyl}-2H-tetrazole
  参考文献：
  名称：

  Synthesis and characterization of 2-alkyl -5-{4-[(3-nitrophenyl-5-isoxazolyl)methoxy]phenyl}-2H-tetrazoles

  摘要：

  Heteroaryl substituted analogs of antirhnoviral (A), was prepared by a convergent approach. 3-Nitrophenyl-5-bromooromethylisoxazoles 5a-b were synthesized by [3+2] cycloaddition of 3-(benzoyloxy)-propyne 2 to in situ generated arylnitrile oxides followed by deprotection of cycloadducts 3a-b and bromination of the resulting alcohols 4a-b. Coupling of 3-nitrophenyl-5-bromooromethylisoxazoles (5a-b) with 4-[5-(2-alkyl-2H-tetrazolyl)]phenols (6a-d) in N-methylpyrrolidinone under mild conditions afforded a new series of 2-alkyl-5-{4-[1-(3-nitrophenyl-5-isoxazoly)methyloxy]pheny}-2H-tetrazoles (7a-h) in high yields. The structures of the synthesized compounds were confirmed by their (1)H NMR, Mass spectral, and Elemental Analysis data.

  DOI：

  10.1007/bf03246058