3-buten-1-ol nitrate | 133699-25-9

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 3-buten-1-ol nitrate
• 英文别名: But-3-enyl nitrate
• CAS: 133699-25-9
• 化学式: C₄H₇NO₃
• 分子量: 117.104
• InChiKey: IDHUTQKCHCPCMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-buten-1-ol nitrate 以 1,2,3,4-四氢萘 为溶剂， 生成 聚合甲醛 、 3-丁烯-1-醇 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  硝酸酯的热分解

  摘要：

  Rates of thermal decomposition and solvent rate effects have been measured for a series of nitrate esters. The alkoxy radicals formed by homolysis together with some of their further degradation products have been stabilized by hydrogen donation. Internal and external return of nitrogen dioxide have been demonstrated by solvent cage effects and isotope exchange. Radical-stabilizing substituents favor beta-scission. Dinitrates in a 1,5 relationship behave as isolated mononitrates. Dinitrates in a 1,3 or 1,4 relationship exhibit intramolecular reactions. Tertiary nitrate esters in diethyl ether undergo elimination rather than homolysis.

  DOI：

  10.1021/j100163a013