Methyl 2-ethyl-3-n-propyl-3-oxiranecarboximidate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: Methyl 2-ethyl-3-n-propyl-3-oxiranecarboximidate
• 英文别名: Methyl 3-ethyl-2-propyloxirane-2-carboximidate；methyl 3-ethyl-2-propyloxirane-2-carboximidate
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: OYVHNIYQYHXXNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-庚酮 、 氰化钠 在 potassium iodide 甲醇 作用下， 生成 Methyl 2-ethyl-3-n-propyl-3-oxiranecarboximidate 、 cis-2-Ethyl-3-n-propyl-3-oxiranecarbonotrile 、 trans-2-Ethyl-3-n-propyl-3-oxiranecarbonitrile
  参考文献：
  名称：

  Electrolytic oxidation of ketones in a methanolic solution of sodium cyanide in the presence of catalytic amounts of potassium iodide

  摘要：

  The indirect electrolytic oxidation of ketones (1) in methanolic sodium cyanide was studied using iodide ion as a mediator. The product and the reactivity of ketone were dependent on the nature of the alkyl groups attached to the carbonyl group. Thus, 2-alkyl and 2,2-dialkyl ketones afforded the corresponding oxiranecarbonitriles 2 along with small amounts of methyl oxiranecarboximidate 3, whereas acetophenones exclusively yielded benzoylpropanedinitriles 4.

  DOI：

  10.1021/jo00075a010

文献信息

• Electrolytic oxidation of ketones in a methanolic solution of sodium cyanide in the presence of catalytic amounts of potassium iodide
  作者：Mitsuhiro Okimoto、Toshiro Chiba

  DOI：10.1021/jo00075a010

  日期：1993.11

  The indirect electrolytic oxidation of ketones (1) in methanolic sodium cyanide was studied using iodide ion as a mediator. The product and the reactivity of ketone were dependent on the nature of the alkyl groups attached to the carbonyl group. Thus, 2-alkyl and 2,2-dialkyl ketones afforded the corresponding oxiranecarbonitriles 2 along with small amounts of methyl oxiranecarboximidate 3, whereas acetophenones exclusively yielded benzoylpropanedinitriles 4.