2-[3-(Iodomethyl)-1,2,4-oxadiazol-5-yl]phenol | 416885-79-5

• 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-[3-(Iodomethyl)-1,2,4-oxadiazol-5-yl]phenol
• CAS: 416885-79-5
• 化学式: C₉H₇IN₂O₂
• 分子量: 302.071
• InChiKey: ZUDRQZHSBHLBHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-di-tert-butyl-4--2,5-cyclohexadien-1-one 、 2-[3-(Iodomethyl)-1,2,4-oxadiazol-5-yl]phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以58%的产率得到N-[o-(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylideneamino)phenyl]-N-[[5-(o-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-p-toluenesulfonamide
  参考文献：
  名称：

  摘要：

  A new procedure was proposed for synthesis of quinoxaline derivatives by N-alkylation of 2,6-di-tert-butyl-4-(o-R-sulfonylaminophenylimino)-2,5-cyclohexadienones and subsequent intramolecular spiro-cyclization. A necessary condition for the reaction to occur is a high mobility of hydrogen in the N-methylene group, which is activated by electron-acceptor aroyl or two ethoxycarbonyl groups.

  DOI：

  10.1023/a:1012399922502
• 作为产物：
  描述：

  水杨酰胺 在 盐酸羟胺 、 sodium acetate 、 sodium iodide 作用下， 以 溶剂黄146 、 乙酸乙酯 、 丙酮 为溶剂， 反应 6.0h， 生成 2-[3-(Iodomethyl)-1,2,4-oxadiazol-5-yl]phenol
  参考文献：
  名称：

  摘要：

  A new procedure was proposed for synthesis of quinoxaline derivatives by N-alkylation of 2,6-di-tert-butyl-4-(o-R-sulfonylaminophenylimino)-2,5-cyclohexadienones and subsequent intramolecular spiro-cyclization. A necessary condition for the reaction to occur is a high mobility of hydrogen in the N-methylene group, which is activated by electron-acceptor aroyl or two ethoxycarbonyl groups.

  DOI：

  10.1023/a:1012399922502

文献信息

• ——
  作者：S. V. Kurbatov、N. I. Vikrishchuk、V. I. Simakov、D. N. Kuznetsov、Yu. A. Zhdanov、L. P. Olekhnovich

  DOI：10.1023/a:1012399922502

  日期：——

  A new procedure was proposed for synthesis of quinoxaline derivatives by N-alkylation of 2,6-di-tert-butyl-4-(o-R-sulfonylaminophenylimino)-2,5-cyclohexadienones and subsequent intramolecular spiro-cyclization. A necessary condition for the reaction to occur is a high mobility of hydrogen in the N-methylene group, which is activated by electron-acceptor aroyl or two ethoxycarbonyl groups.