4-(3-Methyl-4-oxo-4-phenylbutyl)benzonitrile | 1393542-60-3

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 4-(3-Methyl-4-oxo-4-phenylbutyl)benzonitrile
• CAS: 1393542-60-3
• 化学式: C₁₈H₁₇NO
• 分子量: 263.339
• InChiKey: FROKLTIVXYTNAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  4-氰基苯乙烯 、 苯丙酮 在 1,3-双(二苯基膦)丙烷 、 mesitylcopper(I) 作用下， 以 二甲基亚砜 为溶剂， 反应 42.0h， 以61%的产率得到4-(3-Methyl-4-oxo-4-phenylbutyl)benzonitrile
  参考文献：
  名称：

  Cu(I)-catalyzed α-alkylation of ketones with styrene derivatives

  摘要：

  alpha-Alkylation of ketones with styrene derivatives was developed using a mesitylcopper-dppp complex as a soft Bronsted base catalyst. No waste derived from the alkylating reagent was produced in this catalytic alkylation reaction. The bisphosphine ligand structure, as well as the reaction solvent, had profound effects on catalyst activity. The reaction proceeded under mild conditions from a range of ketones and styrene derivatives. The present catalysis is especially useful for the selective mono-alkylation of ketones. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.019