N-(1-azaazulen-2-yl)-N-(2-pyridyl)amine | 1161325-34-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: N-(1-azaazulen-2-yl)-N-(2-pyridyl)amine
• 英文别名: N-pyridin-2-ylcyclohepta[b]pyrrol-2-amine
• CAS: 1161325-34-3
• 化学式: C₁₄H₁₁N₃
• 分子量: 221.261
• InChiKey: IQWIXXVZPUMQJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  C₁₇H₁₅N₃O₂ 在 PPA 作用下， 反应 5.0h， 以83%的产率得到9,11,17-Triazatetracyclo[8.8.0.02,8.012,17]octadeca-1(10),2,4,6,8,11,13,15-octaen-18-one
  参考文献：
  名称：

  Palladium-Catalyzed Heteroarylamination of Ethyl 2-Chloro-1-azaazulene-3-carboxylate and Annulation of Heteroarylamino-1-azaazurenes

  摘要：

  The palladium catalyzed heteroarylamination of ethyl 2-chloro-1-azaazulene-3-carboxylate was achieved using a catalyst based on Pd-2(dba)(3) / Xantphos system. Treatment of ethyl 2-(heteroarylamino)-1-azaazulene-3-carboxylates with a PPA-POCl3 mixture gave corresponding annulation products. 2-(2-Benzothiazolylamino)-1-azaazulene (3h) showed anticancer activity against HeLa S3 cells (IC50: 6.5 mu M).

  DOI：

  10.3987/com-08-s(d)6

文献信息

• Palladium-Catalyzed Amination of 2-Chloro-1-azaazulene with 2-Aminopyridine
  作者：Mitsunori Oda、Daisuke Miyawaki、Shigeyasu Kuroda、Naoko Matsumoto

  DOI：10.3987/com-10-12109

  日期：——

  Palladium-catalyzed amination of 2-chloro-1-azaazulene with 2-aminopyridine was studied under various conditions in order to obtain N-(1-azaazulen-2-yl)-N-(2-pyridyl)amine (4) and N,N-bis(1-azaazillen-2-yl)-N-(2-pyridyl)amine (5) as a multidentate ligand. Results of the reaction and physical and chemical properties of 4 and 5 are described.