1-(2-methoxyphenyl)amino-1-(4-chlorophenyl)-4,4-dimethyl-3-pentanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-methoxyphenyl)amino-1-(4-chlorophenyl)-4,4-dimethyl-3-pentanone
• 英文别名: 1-(4-Chlorophenyl)-1-(2-methoxyanilino)-4,4-dimethylpentan-3-one
• 化学式: C₂₀H₂₄ClNO₂
• 分子量: 345.869
• InChiKey: HQROPUOCGCSRPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯甲醛 、 邻甲氧基苯胺 、 1-溴频哪酮 在 bis(triphenylphosphine)nickel(II) chloride Dimethylzinc 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.75h， 以96%的产率得到1-(2-methoxyphenyl)amino-1-(4-chlorophenyl)-4,4-dimethyl-3-pentanone
  参考文献：
  名称：

  Multiple Component Reactions:  An Efficient Nickel-Catalyzed Reformatsky-Type Reaction and Its Application in the Parallel Synthesis of β-Amino Carbonyl Libraries

  摘要：

  Multiple-component condensations (MCC) where three or more reactants combine to afford a new core structure possessing the molecular features of its composite building blocks is a powerful method for the preparation of molecular diversity. We have developed an efficient, nickel-catalyzed, Reformatsky-type three-component condensation (3CC) reaction that affords beta-amino carbonyl compounds. The scope of the reaction is demonstrated both in the gram and microscale settings; 15 beta-amino esters, amides, and a ketone were prepared efficiently at the mmol scale, and a library of 64 beta-amino carbonyl compounds was generated at the mumol scale.

  DOI：

  10.1021/jo026847q

文献信息

• Multiple Component Reactions:  An Efficient Nickel-Catalyzed Reformatsky-Type Reaction and Its Application in the Parallel Synthesis of β-Amino Carbonyl Libraries
  作者：James C. Adrian、Marc L. Snapper

  DOI：10.1021/jo026847q

  日期：2003.3.1

  Multiple-component condensations (MCC) where three or more reactants combine to afford a new core structure possessing the molecular features of its composite building blocks is a powerful method for the preparation of molecular diversity. We have developed an efficient, nickel-catalyzed, Reformatsky-type three-component condensation (3CC) reaction that affords beta-amino carbonyl compounds. The scope of the reaction is demonstrated both in the gram and microscale settings; 15 beta-amino esters, amides, and a ketone were prepared efficiently at the mmol scale, and a library of 64 beta-amino carbonyl compounds was generated at the mumol scale.