3-chloromethyl-5-(o-hydroxyphenyl)-1,2,4-oxadiazole | 409304-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-chloromethyl-5-(o-hydroxyphenyl)-1,2,4-oxadiazole
• 英文别名: 2-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
• CAS: 409304-46-7
• 化学式: C₉H₇ClN₂O₂
• mdl: MFCD01131011
• 分子量: 210.62
• InChiKey: ZGVJDSCNZFSKOG-UHFFFAOYSA-N

物化性质

• 沸点：
  367.2±52.0 °C(Predicted)
• 密度：
  1.403±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 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：

  3-chloromethyl-5-(o-hydroxyphenyl)-1,2,4-oxadiazole 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 1.0h， 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
• 作为产物：
  描述：

  水杨酰胺 在 盐酸羟胺 、 sodium acetate 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 5.0h， 生成 3-chloromethyl-5-(o-hydroxyphenyl)-1,2,4-oxadiazole
  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.