1-[((4-bromophenyl)(methylsulfonyl)amino)methyl]-2-chlorobenzene | 879403-80-2

• 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: 1-[((4-bromophenyl)(methylsulfonyl)amino)methyl]-2-chlorobenzene
• 英文别名: N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
• CAS: 879403-80-2
• 化学式: C₁₄H₁₃BrClNO₂S
• 分子量: 374.686
• InChiKey: RKPKVEFMOHLVRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[((4-bromophenyl)(methylsulfonyl)amino)methyl]-2-chlorobenzene 、 丙烯酸叔丁酯 在 palladium diacetate 、 potassium carbonate 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 20.0h， 以63%的产率得到(E)-tert-butyl 3-(5,6-dihydro-5-(methylsulfonyl)phenanthridin-2-yl)acrylate
  参考文献：
  名称：

  Heck, Direct Arylation, and Hydrogenation: Two or Three Sequential Reactions from a Single Catalyst

  摘要：

  Palladium-catalyzed tandem multifunctional reactions leading to the synthesis of substituted biaryl molecules have been developed including tandem Heck-direct arylation and tandem-sequential Heck-direct arylation-hydrogenation. These reactions occur in good yield and have been employed in the synthesis of a cytotoxic biaryl compound.

  DOI：

  10.1021/jo0523619
• 作为产物：
  描述：

  4-溴苯胺 在 吡啶 、 potassium carbonate 、 sodium iodide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 23.0h， 生成 1-[((4-bromophenyl)(methylsulfonyl)amino)methyl]-2-chlorobenzene
  参考文献：
  名称：

  Heck, Direct Arylation, and Hydrogenation: Two or Three Sequential Reactions from a Single Catalyst

  摘要：

  Palladium-catalyzed tandem multifunctional reactions leading to the synthesis of substituted biaryl molecules have been developed including tandem Heck-direct arylation and tandem-sequential Heck-direct arylation-hydrogenation. These reactions occur in good yield and have been employed in the synthesis of a cytotoxic biaryl compound.

  DOI：

  10.1021/jo0523619

文献信息

• Heck, Direct Arylation, and Hydrogenation: Two or Three Sequential Reactions from a Single Catalyst
  作者：Jean-Philippe Leclerc、Mathieu André、Keith Fagnou

  DOI：10.1021/jo0523619

  日期：2006.2.1

  Palladium-catalyzed tandem multifunctional reactions leading to the synthesis of substituted biaryl molecules have been developed including tandem Heck-direct arylation and tandem-sequential Heck-direct arylation-hydrogenation. These reactions occur in good yield and have been employed in the synthesis of a cytotoxic biaryl compound.