5-phenoxymethyl-1,2,3-oxadiazole 3-oxide | 1451053-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-phenoxymethyl-1,2,3-oxadiazole 3-oxide
• 英文别名: 3-Oxido-5-(phenoxymethyl)oxadiazol-3-ium；3-oxido-5-(phenoxymethyl)oxadiazol-3-ium
• CAS: 1451053-96-5
• 化学式: C₉H₈N₂O₃
• 分子量: 192.174
• InChiKey: AYMKNZOVCLZAHT-UHFFFAOYSA-N

物化性质

• 沸点：
  333.4±34.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  60.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-phenoxymethyl-1,2,3-oxadiazole 3-oxide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 以98%的产率得到苯氧基丙酮
  参考文献：
  名称：

  Reaction of 1,2,3-Oxadiazole 3-Oxides

  摘要：

  1,2,3-Oxadiazole 3-oxides with an alkoxymethyl group at the 5-position were reduced by reacting them with sodium borohydride to produce 4,5-dihydro-1,2,3-oxadiazole 3-oxides in good yields, which were further transformed into substituted diazene N-oxides by reacting with Grignard reagents.

  DOI：

  10.3987/com-12-s(n)127
• 作为产物：
  描述：

  苯基炔丙基醚 在 正丁基锂 、 硝基二甲基苯基 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 5-phenoxymethyl-1,2,3-oxadiazole 3-oxide
  参考文献：
  名称：

  Reaction of 1,2,3-Oxadiazole 3-Oxides

  摘要：

  1,2,3-Oxadiazole 3-oxides with an alkoxymethyl group at the 5-position were reduced by reacting them with sodium borohydride to produce 4,5-dihydro-1,2,3-oxadiazole 3-oxides in good yields, which were further transformed into substituted diazene N-oxides by reacting with Grignard reagents.

  DOI：

  10.3987/com-12-s(n)127

文献信息

• Reaction of 1,2,3-Oxadiazole 3-Oxides
  作者：Takumichi Sugihara、Akira Murakawa、Chiemi Sawanaka、Megumi Seki、Ayano Iizuka、Takuya Oohora、Shinobu Honzawa、Natsuki Iio

  DOI：10.3987/com-12-s(n)127

  日期：——

  1,2,3-Oxadiazole 3-oxides with an alkoxymethyl group at the 5-position were reduced by reacting them with sodium borohydride to produce 4,5-dihydro-1,2,3-oxadiazole 3-oxides in good yields, which were further transformed into substituted diazene N-oxides by reacting with Grignard reagents.