(E)-3-ethoxy-6-methylhept-3-enenitrile | 1337568-86-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-3-ethoxy-6-methylhept-3-enenitrile
• 英文别名: (E)-4-ethoxy-7-methyloct-4-enenitrile
• CAS: 1337568-86-1
• 化学式: C₁₁H₁₉NO
• 分子量: 181.278
• InChiKey: DKEXTQWRDGMLLU-DHZHZOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异戊醛 在 过氧化双月桂酰 、 叔丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 乙酸乙酯 、 mineral oil 为溶剂， 反应 0.33h， 生成 (E)-3-ethoxy-6-methylhept-3-enenitrile 、 (Z)-3-ethoxy-6-methylhept-3-enenitrile
  参考文献：
  名称：

  Modular Approach to Saturated and α,β-Unsaturated Ketones

  摘要：

  2-Fluoro-6-pyridinyloxy derivatives of 2-ethoxyvinyl carbinois react with radicals derived from xanthates by an addition fragmentation pathway to give highly functionalized ketones after acid hydrolysis. 1,4-Diketones are readily accessible by this approach. alpha,beta-Unsaturated ketones can be obtained by starting with geminal acetoxy xanthates prepared by addition of a simpler xanthate to vinyl acetate.

  DOI：

  10.1021/ol202399c

文献信息

• Modular Approach to Saturated and α,β-Unsaturated Ketones
  作者：Laurent Debien、Béatrice Quiclet-Sire、Samir Z. Zard

  DOI：10.1021/ol202399c

  日期：2011.10.21

  2-Fluoro-6-pyridinyloxy derivatives of 2-ethoxyvinyl carbinois react with radicals derived from xanthates by an addition fragmentation pathway to give highly functionalized ketones after acid hydrolysis. 1,4-Diketones are readily accessible by this approach. alpha,beta-Unsaturated ketones can be obtained by starting with geminal acetoxy xanthates prepared by addition of a simpler xanthate to vinyl acetate.