1,1-dichloro-4-(4-methylphenyl)amino-4-phenylbut-3-en-2-one | 847363-83-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1,1-dichloro-4-(4-methylphenyl)amino-4-phenylbut-3-en-2-one
• 英文别名: (E)-1,1-dichloro-4-(4-methylanilino)-4-phenylbut-3-en-2-one
• CAS: 847363-83-1
• 化学式: C₁₇H₁₅Cl₂NO
• 分子量: 320.218
• InChiKey: FULHGGRSZGXAMY-RVDMUPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-dichloro-4-(4-methylphenyl)amino-4-phenylbut-3-en-2-one 在 PPA 作用下， 以93%的产率得到4-dichloromethyl-6-methyl-2-phenylquinoline
  参考文献：
  名称：

  Addition of Amines to the Triple Bond in α,α,α-Trichloromethylpropargyl Mesylate:  Synthesis of α,α-Dichloromethylenaminones and Preparation of 2-Phenyl-4-dichloromethylquinolines

  摘要：

  Addition of amines to the triple bond in alpha,alpha,alpha-trichloromethylpropargyl mesylate to give alpha,alpha-dichloromethylenaminones and its use in the preparation of 2-phenyl-4-dichloromethylquinolines in good yields are reported.

  DOI：

  10.1021/jo048101t
• 作为产物：
  描述：

  1,1,1-三氯-4-苯基-3-丁炔-2-醇 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 1,1-dichloro-4-(4-methylphenyl)amino-4-phenylbut-3-en-2-one
  参考文献：
  名称：

  Addition of Amines to the Triple Bond in α,α,α-Trichloromethylpropargyl Mesylate:  Synthesis of α,α-Dichloromethylenaminones and Preparation of 2-Phenyl-4-dichloromethylquinolines

  摘要：

  Addition of amines to the triple bond in alpha,alpha,alpha-trichloromethylpropargyl mesylate to give alpha,alpha-dichloromethylenaminones and its use in the preparation of 2-phenyl-4-dichloromethylquinolines in good yields are reported.

  DOI：

  10.1021/jo048101t

文献信息

• Addition of Amines to the Triple Bond in <i>α</i><i>,</i><i>α</i><i>,</i><i>α</i>-Trichloromethylpropargyl Mesylate:  Synthesis of <i>α</i><i>,</i><i>α</i>-Dichloromethylenaminones and Preparation of 2-Phenyl-4-dichloromethylquinolines
  作者：Yu-Gui Si、Song-Po Guo、Wan-Jun Wang、Biao Jiang

  DOI：10.1021/jo048101t

  日期：2005.2.1

  Addition of amines to the triple bond in alpha,alpha,alpha-trichloromethylpropargyl mesylate to give alpha,alpha-dichloromethylenaminones and its use in the preparation of 2-phenyl-4-dichloromethylquinolines in good yields are reported.