1-(2-iodophenyl)-3-methyl-3-phenyltriazene | 1615702-61-8

• 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-(2-iodophenyl)-3-methyl-3-phenyltriazene
• CAS: 1615702-61-8
• 化学式: C₁₃H₁₂IN₃
• 分子量: 337.163
• InChiKey: SUYCCTDNILFCPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  17.0
• 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：
  27.96
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(2-iodophenyl)-3-methyl-3-phenyltriazene 在 碘苯二乙酸 、 potassium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 以67%的产率得到1-苯基-1H-苯并三唑
  参考文献：
  名称：

  Palladium-Nanoparticle-Catalyzed 1,7-Palladium Migration Involving C–H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of N1-Arylbenzotriazoles and an Evaluation of Their Inhibitory Activity toward Indoleamine 2,3-Dioxygenase

  摘要：

  A sulfur-modified gold-supported palladium material (SAPd) has been developed bearing palladium nanoparticles on its surface. Herein, we report for the first time the use of SAPd to affect a Pd-nanoparticle-catalyzed 1,7-Pd migration reaction for the synthesis of benzotriazoles via C-H bond activation. The resulting benzotriazoles were evaluated in terms of their inhibitory activity toward indoleamine 2,3-dioxygenase.

  DOI：

  10.1021/jo5009838
• 作为产物：
  描述：

  2-碘苯胺 、 N-甲基苯胺 在 盐酸 、 sodium nitrite 、 potassium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 1.25h， 以96%的产率得到1-(2-iodophenyl)-3-methyl-3-phenyltriazene
  参考文献：
  名称：

  Palladium-Nanoparticle-Catalyzed 1,7-Palladium Migration Involving C–H Activation, Followed by Intramolecular Amination: Regioselective Synthesis of N1-Arylbenzotriazoles and an Evaluation of Their Inhibitory Activity toward Indoleamine 2,3-Dioxygenase

  摘要：

  A sulfur-modified gold-supported palladium material (SAPd) has been developed bearing palladium nanoparticles on its surface. Herein, we report for the first time the use of SAPd to affect a Pd-nanoparticle-catalyzed 1,7-Pd migration reaction for the synthesis of benzotriazoles via C-H bond activation. The resulting benzotriazoles were evaluated in terms of their inhibitory activity toward indoleamine 2,3-dioxygenase.

  DOI：

  10.1021/jo5009838