ethyl N-(5-p-methoxyphenyl-1,3,4-oxadiazol-2-yl)carbamate | 116236-32-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl N-(5-p-methoxyphenyl-1,3,4-oxadiazol-2-yl)carbamate
• 英文别名: Ethyl (5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)carbamate；ethyl N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamate
• CAS: 116236-32-9
• 化学式: C₁₂H₁₃N₃O₄
• 分子量: 263.253
• InChiKey: AEVKZUILGQFPEO-UHFFFAOYSA-N

物化性质

• 熔点：
  235-237 °C(Solv: ethanol (64-17-5))
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl N-(5-p-methoxyphenyl-1,3,4-oxadiazol-2-yl)carbamate 以 乙醇 为溶剂， 反应 22.0h， 生成 2-p-methoxyphenyl-6-(4-fluorophenyl)-5-thioxo-1,3,4-oxadiazolo<3,2-a>-s-triazine-7-one
  参考文献：
  名称：

  Singh, H.; Misra, A. R.; Yadav, L. D. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 1000 - 1002

  摘要：

  DOI：
• 作为产物：
  描述：

  4-methoxybenzaldehyde semicarbazone 在 吡啶 、 溴 、 sodium acetate 、 溶剂黄146 、 三乙胺 作用下， 反应 1.0h， 生成 ethyl N-(5-p-methoxyphenyl-1,3,4-oxadiazol-2-yl)carbamate
  参考文献：
  名称：

  Antifungal Activity of New 1,3,4-oxadiazolo[3,2-a]-s-triazine-5,7-diones and Their 5-thioxo-7-ones

  摘要：

  N-1- and N-3-(4-fluorophenyl) ureas (III a-e) were cyclocondensed with ethyl chloroformate and CS2/KOH to yield 2-aryl-6-(4-fluorophenyl)-1,3,4-oxadiazolo [3,2-alpha]-s-triazine-5, 7-diones (IVa-e) and their 5-thioxo-7-ones (Va-e), respectively. The compounds III-V(a-e) have been compared with Dithane M-45 for their fungitoxic action against A. niger and F. oxyporum, and the results have been correlated with the structural features of the tested compounds.

  DOI：

  10.1021/jf990742f

文献信息

• Singh, H.; Misra, A. R.; Yadav, L. D. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 1000 - 1002
  作者：Singh, H.、Misra, A. R.、Yadav, L. D. S.

  DOI：——

  日期：——
• SINGH, H.;MISRA, A. R.;YADAV, L. D. S., INDIAN J. CHEM., 26,(1987) N 10, 1000-1002
  作者：SINGH, H.、MISRA, A. R.、YADAV, L. D. S.

  DOI：——

  日期：——
• Antifungal Activity of New 1,3,4-oxadiazolo[3,2-<i>a</i>]-<i>s</i>-triazine-5,7-diones and Their 5-thioxo-7-ones
  作者：Atma R. Mishra、Shailendra Singh、Abdul Wahab

  DOI：10.1021/jf990742f

  日期：2000.11.1

  N-1- and N-3-(4-fluorophenyl) ureas (III a-e) were cyclocondensed with ethyl chloroformate and CS2/KOH to yield 2-aryl-6-(4-fluorophenyl)-1,3,4-oxadiazolo [3,2-alpha]-s-triazine-5, 7-diones (IVa-e) and their 5-thioxo-7-ones (Va-e), respectively. The compounds III-V(a-e) have been compared with Dithane M-45 for their fungitoxic action against A. niger and F. oxyporum, and the results have been correlated with the structural features of the tested compounds.