| 1379466-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1379466-02-0
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: HMUHGDCINJOQEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  44.12
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 三乙烯二胺 、 甲醇 、 氨 、 碘 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 5.08h， 生成 methyl 3-(4-methoxyphenyl)-2-phenyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylate
  参考文献：
  名称：

  Iodine-Mediated Intramolecular Electrophilic Aromatic Cyclization in Allylamines: A General Route to Synthesis of Quinolines, Pyrazolo[4,3-b]pyridines, and Thieno[3,2-b]pyridines

  摘要：

  An unprecedented synthesis of aromatic ring annulated pyridines from suitably substituted primary allylamines via intramolecular electrophilic aromatic cyclization mediated by molecular iodine under mild conditions is described.

  DOI：

  10.1021/ol303109m

文献信息

• Design, synthesis, and in vitro antituberculosis activity of benzo[6,7]cyclohepta[1,2-<i>b</i> ]pyridine-1,3,4-oxadiazole derivatives
  作者：Yasodakrishna Sajja、Sowmya Vanguru、Hanmanth Reddy Vulupala、Lingaiah Nagarapu、Yogeswari Perumal、Dharmarajan Sriram、Jagadeesh Babu Nanubolu

  DOI：10.1111/cbdd.12969

  日期：2017.10

  A new antitubercular agents, benzo[6,7]cyclohepta[1,2‐b]pyridine‐1,3,4‐ oxadiazole hybrids (6a–o), have been designed and synthesized involving oxidative cyclization of hydrazones by use of di(acetoxy)iodobenzene, characterized by IR,1H NMR,13C NMR, and HRMS, and further confirmed by X‐ray analysis. All the newly synthesized compounds 4a–o evaluated for their in vitro antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC27294). Among the compounds tested, the compounds 4o (MIC: 1.56 μg/ml) and 4l, 4m (MIC: 3.125 μg/ml) are promising lead analogues and have shown lower cytotoxicity.