| 1334727-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• CAS: 1334727-60-4
• 化学式: C₁₇H₁₄N₄O₃
• 分子量: 322.323
• InChiKey: XGBAIAUOUASPGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  97.59
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 环己酮 在 盐酸 、 水 作用下， 以 乙醇 为溶剂， 反应 3.5h， 以70%的产率得到2-[3-(2,3,4,9-tetrahydro-1H-carbazol-6-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
  参考文献：
  名称：

  One-pot synthesis of pyrazoline derivatised carbazoles as antitubercular, anticancer agents, their DNA cleavage and antioxidant activities

  摘要：

  Novel tricyclic carbazoles 4a-k were synthesized in one-pot employing sydnone derivatives 3a-k as masked hydrazines by the ring transformation in presence of conc. HCl and cyclohexanone. The title compounds were screened for anti-tubercular, anti cancer, DNA cleavage, antioxidant activity. MIC, GI50, LC50, TGI were evaluated. The title compounds have exhibited significant antitubercular, DNA cleavage and antioxidant activities and partial anticancer activity. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.07.007