4,4-dimethyl-2-(1-methylphenacyl)pentanenitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,4-dimethyl-2-(1-methylphenacyl)pentanenitrile
• 英文别名: 4,4-Dimethyl-2-(1-oxo-1-phenylpropan-2-yl)pentanenitrile；4,4-dimethyl-2-(1-oxo-1-phenylpropan-2-yl)pentanenitrile
• 化学式: C₁₆H₂₁NO
• 分子量: 243.349
• InChiKey: NOUWBFHQNQOHEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  碘代叔丁烷 、 丙烯腈 、 tributyl-[(Z)-1-phenylprop-1-enoxy]stannane 在 偶氮二异丁腈 作用下， 以 苯 为溶剂， 反应 4.0h， 以92%的产率得到4,4-dimethyl-2-(1-methylphenacyl)pentanenitrile
  参考文献：
  名称：

  Synthetic Utility of Stannyl Enolates as Radical Alkylating Agents¹

  摘要：

  [GRAPHICS]The radical-initiated beta -ketoalkylation of haloalkanes with tributylstannyl enolates is described. Stannyl enolates derived from aromatic ketones are reactive toward the homolytic beta -ketoalkylation of simple haloalkanes as well as those activated by an electron-withdrawing group. The reactivity of stannyl enolates as radical alkylating agents can be utilized for an efficient three-component coupling reaction among stannyl enolates, haloalkanes, and electron-deficient alkenes.

  DOI：

  10.1021/ol016268s

文献信息

• Synthetic Utility of Stannyl Enolates as Radical Alkylating Agents¹
  作者：Katsukiyo Miura、Naoki Fujisawa、Hiroshi Saito、Di Wang、Akira Hosomi

  DOI：10.1021/ol016268s

  日期：2001.8.9

  [GRAPHICS]The radical-initiated beta -ketoalkylation of haloalkanes with tributylstannyl enolates is described. Stannyl enolates derived from aromatic ketones are reactive toward the homolytic beta -ketoalkylation of simple haloalkanes as well as those activated by an electron-withdrawing group. The reactivity of stannyl enolates as radical alkylating agents can be utilized for an efficient three-component coupling reaction among stannyl enolates, haloalkanes, and electron-deficient alkenes.