5-Methyl-2-(prop-2-enyl)isoksazol-3(2H)-one | 71980-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Methyl-2-(prop-2-enyl)isoksazol-3(2H)-one
• 英文别名: 2-Allyl-5-methyl-4-isoxazolin-3-on；2-allyl-5-methyl-isoxazol-3-one；5-Methyl-2-prop-2-enyl-1,2-oxazol-3-one
• CAS: 71980-13-7
• 化学式: C₇H₉NO₂
• 分子量: 139.154
• InChiKey: ZWXFMOWTGRRECQ-UHFFFAOYSA-N

物化性质

• 沸点：
  178.2±33.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Methyl-2-(prop-2-enyl)isoksazol-3(2H)-one 在 COCl₂ 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 3-Chlor-2-allyl-isooxazolinium
  参考文献：
  名称：

  Tomita,K. et al., Chemical and pharmaceutical bulletin, 1979, vol. 27, # 10, p. 2398 - 2404

  摘要：

  DOI：
• 作为产物：
  描述：

  恶霉灵 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 5-Methyl-2-(prop-2-enyl)isoksazol-3(2H)-one
  参考文献：
  名称：

  Tomita,K. et al., Chemical and pharmaceutical bulletin, 1979, vol. 27, # 10, p. 2398 - 2404

  摘要：

  DOI：

文献信息

• Novel and practical preparation of α-fluoro-functionalized esters from fluoroiodoacetates
  作者：Chengxin Zhi、Qing-Yun Chen

  DOI：10.1039/p19960001741

  日期：——

  The addition reaction of fluoroiodoacetates 2 to various electron-rich alkenes 3 initiated by iron powder in dry THF at 70-80 degrees C gave 1 : 1 adducts 4 in good yields. A variety of functionalities in the alkenes such as trimethylsilyl, alkoxy, acetoxy, hydroxy and ester could be tolerated under the reaction conditions. Reduction of the adducts 4 with Zn-AcOH in ethanol or Zn-NiCl2 . 6H(2)O in moist THF was readily accomplished, and the overall procedure was amenable to a convenient one-flask procedure, Treatment of fluoroiodoacetates 2 with electron-deficient alkenes 7 in the presence of an Fe-CrCl3 . 6H(2)O-bpy bimetal redox system in ethanol at 70-80 degrees C resulted in the formation of iodine-free 1 : 1 adducts 8 in moderate to good yields. It is proposed that the addition reactions of fluoroiodoacetates 2 to electron-rich and electron-deficient alkenes proceeded through a single-electron-transfer mechanism.