N-(3-chloro-4-iodo-phenyl)-4-methylbenzenesulfonamide | 889663-34-7

• 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-(3-chloro-4-iodo-phenyl)-4-methylbenzenesulfonamide
• 英文别名: N-(3-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
• CAS: 889663-34-7
• 化学式: C₁₃H₁₁ClINO₂S
• 分子量: 407.659
• InChiKey: GBQHTCDPCRZZFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  46.17
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-(3-chloro-4-iodo-phenyl)-4-methylbenzenesulfonamide 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以94%的产率得到N-(3-chloro-4-iodo-phenyl)-4,N-dimethylbenzenesulfonamide
  参考文献：
  名称：

  Preparation of Annulated Nitrogen-Containing Heterocycles via a One-Pot Palladium-Catalyzed Alkylation/Direct Arylation Sequence

  摘要：

  A palladium-catalyzed/norbornene-mediated sequential coupling reaction involving an aromatic Sp(2) C-H functionalization as the key step is described, in which an alkyl-aryl bond and an aryl-heteroaryl bond are formed in one pot. A variety of highly substituted six- and seven-membered annulated pyrroles and pyrazoles were synthesized in a one-step process in good yields from readily accessible N-bromoalkyl pyrroles or pyrazoles and aryl iodides.

  DOI：

  10.1021/ol060447y
• 作为产物：
  描述：

  3-氯苯胺 在 吡啶 、 N,N,N-trimethylbenzenemethanaminium dichloroiodate 、 calcium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 11.0h， 生成 N-(3-chloro-4-iodo-phenyl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Preparation of Annulated Nitrogen-Containing Heterocycles via a One-Pot Palladium-Catalyzed Alkylation/Direct Arylation Sequence

  摘要：

  A palladium-catalyzed/norbornene-mediated sequential coupling reaction involving an aromatic Sp(2) C-H functionalization as the key step is described, in which an alkyl-aryl bond and an aryl-heteroaryl bond are formed in one pot. A variety of highly substituted six- and seven-membered annulated pyrroles and pyrazoles were synthesized in a one-step process in good yields from readily accessible N-bromoalkyl pyrroles or pyrazoles and aryl iodides.

  DOI：

  10.1021/ol060447y