N-(but-3-enyl)-N,4-dimethylbenzenamine | 1227403-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(but-3-enyl)-N,4-dimethylbenzenamine
• 英文别名: N-but-3-enyl-N,4-dimethylaniline
• CAS: 1227403-23-7
• 化学式: C₁₂H₁₇N
• 分子量: 175.274
• InChiKey: PBMBUADXTYJRGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  烯丙基三丁基锡 、 N,N-二甲基对甲苯胺 在 叔丁基过氧化氢 、 iron(III) chloride hexahydrate 作用下， 以 水 、 乙腈 为溶剂， 以70%的产率得到N-(but-3-enyl)-N,4-dimethylbenzenamine
  参考文献：
  名称：

  FeCl₃-Catalyzed Oxidative Allylation of sp² and sp³ C−H Bond Adjacent to a Nitrogen Atom: Easy Access to Homoallyl Tertiary Amines

  摘要：

  Oxidative allylation to sp(2)- and sp(3)-carbon attached to the nitrogen atom was accomplished. The alpha-allylation of tertiary amines was catalyzed by easily available hydrated iron(III) chloride in combination with air or aqueous (BuOOH)-Bu-t. Remarkably, N-allyl- and N-propagyl-tethered tertiary amines were also allylated through this protocol.

  DOI：

  10.1021/jo1005813

文献信息

• Dental compositions and initiator systems with color-stable amine electron donors
  申请人：3M Innovative Properties Company

  公开号：EP2859876B1

  公开（公告）日：2020-06-24
• FeCl₃-Catalyzed Oxidative Allylation of sp² and sp³ C−H Bond Adjacent to a Nitrogen Atom: Easy Access to Homoallyl Tertiary Amines
  作者：Gullapalli Kumaraswamy、Akula Narayana Murthy、Arigala Pitchaiah

  DOI：10.1021/jo1005813

  日期：2010.6.4

  Oxidative allylation to sp(2)- and sp(3)-carbon attached to the nitrogen atom was accomplished. The alpha-allylation of tertiary amines was catalyzed by easily available hydrated iron(III) chloride in combination with air or aqueous (BuOOH)-Bu-t. Remarkably, N-allyl- and N-propagyl-tethered tertiary amines were also allylated through this protocol.