3-Methyl-2-(methyl-phenyl-amino)-1-phenyl-pent-4-en-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Methyl-2-(methyl-phenyl-amino)-1-phenyl-pent-4-en-1-one
• 英文别名: 3-methyl-2-(N-methylanilino)-1-phenylpent-4-en-1-one
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: BFVWNFJKRLODAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ((E)-But-2-enyl)-methyl-(2-oxo-2-phenyl-ethyl)-phenyl-ammonium; bromide 在 sodium carbonate 作用下， 以65%的产率得到3-Methyl-2-(methyl-phenyl-amino)-1-phenyl-pent-4-en-1-one
  参考文献：
  名称：

  Stevens Rearrangement of Anilinium Salts By the Action Sodium Carbonate Hexahydrate

  摘要：

  Anilinium salts containing an allyl-like group together with various functionally substituted receiving groups undergo Stevens rearrangement by the action of sodium carbonate hexahydrate in the absence of a solvent. As a result, both N-methylaniline derivatives and nucleophilic substitution products are formed.

  DOI：

  10.1023/b:rugc.0000016031.82173.59

文献信息

• Stevens Rearrangement of Anilinium Salts By the Action Sodium Carbonate Hexahydrate
  作者：L. G. Shakhbazyan、A. V. Babakhanyan、Dzh. V. Grigoryan、S. T. Kocharyan

  DOI：10.1023/b:rugc.0000016031.82173.59

  日期：2003.10

  Anilinium salts containing an allyl-like group together with various functionally substituted receiving groups undergo Stevens rearrangement by the action of sodium carbonate hexahydrate in the absence of a solvent. As a result, both N-methylaniline derivatives and nucleophilic substitution products are formed.